FreeBSD Ports

science 623 ports

Scientific ports that fit into no other category

PortVersionRepositoryComment
astro/p5-Astro-Constants0.1500FreeBSD portsPhysical constants for use in astronomy
astro/py-pymeeus0.5.12_1FreeBSD portsPython implementation of Jean Meeus astronomical routines
astro/py-pysolar0.13_2FreeBSD portsSimulate solar irradiation at any point on Earth
audio/praat7.0.02FreeBSD portsSpeech analysis tool used for doing phonetics by computer
biology/augustus3.5.0_18FreeBSD portsGenome annotation tool
biology/barrnap1.10.6FreeBSD portsBAsic Rapid Ribosomal RNA Predictor
biology/hhsuite3.3.0_3FreeBSD portsRemote protein homology detection suite
biology/ncbi-cxx-toolkit30.8.0_1FreeBSD portsNCBI C++ Toolkit
biology/ugene53.1_1FreeBSD portsIntegrated bioinformatics toolkit
cad/feappv5.1.2.eFreeBSD portsFinite element analysis program (personal version)
cad/opencascade8.0.1_3FreeBSD portsOpen CASCADE Technology, 3D modeling & numerical simulation
cad/opencascade7407.4.0_5FreeBSD portsOpen CASCADE Technology, 3D modeling & numerical simulation
cad/scotch7.0.16FreeBSD portsPackage for graph and mesh partitioning and sparse matrix ordering
cad/scotch-edf6.0.4.a7_7FreeBSD portsPackage for graph and mesh partitioning and sparse matrix ordering
comms/hackrf2026.01.3FreeBSD portsLow cost open source hardware software radio platform
devel/blitz1.0.2_4FreeBSD portsBlitz++ Multi-Dimensional Array Library for C++
devel/expected1.2.0FreeBSD portsC++11/14/17 std::expected with functional-style extensions
devel/ftxui7.0.3FreeBSD portsC++ Functional Terminal User Interface (TUI) library
devel/git-tui1.4.0FreeBSD portsTerminal interface for some git commands
devel/gnatcoll-bindings26.0.0FreeBSD portsGNATColl Bindings meta-port
devel/gnatcoll-bindings-gmp26.0.0FreeBSD portsGNATColl interface to GNU Multiple Precision arithmetic library
devel/iscd-commons1.0.0FreeBSD portsCommon code shared by many ISCD softwares
devel/phasar2604_1FreeBSD portsLLVM-based static analysis framework
devel/py-app-model0.5.1FreeBSD portsGeneric application schema implemented in python
devel/py-ast2json0.4_1FreeBSD portsConvert a python source code into json-dumpable AST data
devel/py-bashlex0.18FreeBSD portsPython parser for bash
devel/py-cibuildwheel4.3.1FreeBSD portsBuild Python wheels on CI with minimal configuration
devel/py-fire0.7.1FreeBSD portsLibrary for automatically generating command line interfaces (CLIs)
devel/py-in-n-out0.2.1FreeBSD portsPlugable dependency injection and result processing
devel/py-printree0.2.1FreeBSD portsPretty print python objects in a tree format
devel/py-pyconify0.2.1FreeBSD portsIconify for python: Universal icon framework
devel/py-rtree1.4.1FreeBSD portsR-Tree Spatial Index For Python GIS
devel/py-zfp1.0.1_2FreeBSD portsHigh throughput library for compressed floating-point arrays
devel/root6.38.00_3FreeBSD portsData analysis framework made at CERN
devel/vitables3.1.0_3FreeBSD portsViewer and editor of files in both PyTables format and HDF5 format
devel/zfp1.0.1FreeBSD portsHigh throughput library for compressed floating-point arrays
french/med4.0.0_3FreeBSD portsModelisation et Echanges de Donnees
graphics/engauge-digitizer12.9.1_1FreeBSD portsExtract data points from images of graphs
graphics/grads1.9b4_18FreeBSD portsThe Grid Analysis and Display System
graphics/py-colorcet3.2.1FreeBSD portsUseful perceptually uniform colormaps for plotting scientific data
graphics/py-mayavi4.9.0FreeBSD portsApplication and library for 3D visualization and plotting in Python
graphics/py-pyqtgraph0.14.0FreeBSD portsScientific graphics and GUI library for Python
graphics/py-vispy0.16.2FreeBSD portsHigh-performance interactive 2D/3D data visualization library
graphics/tachyon0.98.9_2FreeBSD portsMultiproccess ray tracing system
lang/numbat1.24.0_3FreeBSD portsStatically typed programming language for scientific computations
lang/p5-Quantum-Superpositions2.03FreeBSD portsQM-like superpositions in Perl
lang/silq20250624_3FreeBSD portsSilq from ETH Zuerich
math/R-cran-psych2.6.9FreeBSD portsPsych package for the R project
math/R-cran-psychTools2.6.4FreeBSD portsTools to Accompany the 'psych' Package
math/SCIP10.1.0FreeBSD portsSolver for mixed integer, mixed integer nonlinear programming
math/SoPlex8.1.0FreeBSD portsOptimization package for solving linear programming problems (LPs)
math/alglib4.08.0FreeBSD portsNumerical analysis and data processing library
math/ann1.1.2_1FreeBSD portsLibrary for Approximate Nearest Neighbor Searching
math/emc22.17FreeBSD portsGraphical editor of two-dimensional mesh geometries
math/fann2.2.0.20230126FreeBSD portsFree open source neural network library
math/freefem++4.17FreeBSD portsPartial differential equation solver
math/libxsmm1.17_1FreeBSD portsLibrary for dense and sparse matrix operations and deep learning
math/mathex0.3.bFreeBSD portsC++ library to parse/evaluate mathematical expressions
math/parmgridgen1.0_17FreeBSD portsLibrary for obtaining a sequence of successive coarse grids
math/plplot5.15.0_8FreeBSD portsScientific plotting package
math/py-deap1.4.4FreeBSD portsDistributed Evolutionary Algorithms in Python
math/sprng5.0_4FreeBSD portsScalable Parallel Pseudo Random Number Generators Library
math/vdt0.4.6FreeBSD portsFast and inline implementations of mathematical functions
misc/adios22.10.2_8FreeBSD portsNext generation of ADIOS developed in the Exascale Computing Program
misc/openmvg2.1_7FreeBSD portsMultiple View Geometry (MVG) library
misc/vxl3.3.2_3FreeBSD portsC++ libraries for computer vision and image understanding
science/2d-rewriter1.6_1FreeBSD portsCellular automata simulator
science/ALPSCore2.3.3FreeBSD portsGeneric algorithms and utilities for condensed matter physics
science/ChipmunkPhysics7.0.1_2FreeBSD ports2D physics engine written in C
science/InsightToolkit5.3.0_10FreeBSD portsInsight Toolkit
science/PETSc3.26.0_1FreeBSD portsSuite of data structures and routines from Argonne National Laboratory
science/R-cran-DCluster0.2.10FreeBSD portsFunctions for the detection of spatial clusters of diseases
science/R-cran-Epi2.66FreeBSD portsPackage for statistical analysis in epidemiology
science/R-cran-FAdist2.4_1FreeBSD portsProbability distributions that are sometimes useful in hydrology
science/R-cran-bayesm3.1.7FreeBSD portsBayesian Inference for Marketing/Micro-econometrics
science/R-cran-cmprsk2.2.12FreeBSD portsSubdistribution Analysis of Competing Risks
science/R-cran-e10711.7.17FreeBSD portsMisc Functions of the Department of Statistics (e1071), TU Wien
science/R-cran-epicalc2.15.1.0_12FreeBSD portsEpidemiological calculator
science/R-cran-etm1.1.2FreeBSD portsEmpirical Transition Matrix
science/R-cran-fastICA1.2.8FreeBSD portsFastICA Algorithms to Perform ICA and Projection Pursuit
science/R-cran-kernlab0.9.33FreeBSD portsKernel-Based Machine Learning Lab
science/R-cran-ks1.15.3FreeBSD portsKernel Smoothing
science/R-cran-snow0.4.4_1FreeBSD portsSupport for simple parallel computing in R
science/R-cran-som0.3.5.2FreeBSD portsSelf-Organizing Map
science/R-cran-udunits20.13.2.2FreeBSD portsUdunits-2 Bindings for R
science/abinit10.8.3FreeBSD portsFull-featured atomic-scale first-principles simulation software
science/acados0.6.0FreeBSD portsFast and embedded solvers for nonlinear optimal control
science/afni26.3.04FreeBSD portsAdvanced Functional Neuro Imaging
science/agrum3.2.1FreeBSD portsGraphical modeler for Bayesian networks, influence diagrams, etc
science/aircraft-datcom0.0.20120723_7FreeBSD portsModified USAF Aircraft Stability and Control Data Compendium
science/amrex26.09FreeBSD portsAMReX: Software Framework for Block Structured AMR
science/anari0.16.0FreeBSD portsANARI Cross-Platform 3D Rendering Engine API
science/antioch0.4.0.156_15FreeBSD portsC++ Chemical Kinetics, Thermodynaimics, and Transport Library
science/apbs3.4.1FreeBSD portsElectrostatic and solvation properties for complex molecules
science/arbor0.12.2FreeBSD portsMulti-compartment neural network simulation library
science/ascent0.9.5_4FreeBSD portsVisualization and analysis runtime for multi-physics HPC simulations
science/atompaw4.2.0.5_2FreeBSD portsTool for projector augmented wave functions for molecular simulations
science/avogadro22.0.0_2FreeBSD portsChemical editor and visualization application
science/avogadrolibs2.0.0_1FreeBSD portsAvogadro2 libraries for chemical editor and visualization applications
science/axom0.15.0_1FreeBSD portsInfrastructure for development of multi-physics applications and tools
science/bagel1.2.2.147FreeBSD portsBrilliantly Advanced General Electronic-structure Library
science/bddsolve1.04_22FreeBSD portsBDD-based satisfiability and reachability solver
science/berkeleygw4.0_4FreeBSD portsScientific program aimed at the ab initio virtual experimentation
science/bodr10FreeBSD portsChemistry data like element and isotope properties, atomic radii, etc
science/bout++5.1.1_11FreeBSD portsPlasma fluid finite-difference simulation code
science/bout++-merging-filamentsg20200812_3FreeBSD portsSimulation of reconnection during merging of current filaments
science/buddy2.4_2FreeBSD portsBinary Decision Diagram library
science/cantera3.2.0_1FreeBSD portsChemical kinetics, thermodynamics, and transport tool suite
science/cardioidg20211026_5FreeBSD portsCardiac simulation toolkit
science/cdf3.9.1_1FreeBSD portsDevice independent view of the CDF data model
science/cdk2.13FreeBSD portsChemistry Development Kit
science/cdo2.6.4_1FreeBSD portsClimate Data Operators
science/cgnslib4.5.2,1FreeBSD portsCFD General Notation System library code
science/cgribex2.3.1FreeBSD portsLightweight GRIBEX in C with portable Fortran interface
science/checkmol0.5_18FreeBSD portsAnalyze molecules for the presence of functional groups
science/chemical-mime-data0.1.94_12FreeBSD portsCollection of chemical MIME types for UNIX desktops
science/chemicalfun0.1.13FreeBSD portsC++ library for working with chemical reactions and formulas
science/chemps21.8.12_7FreeBSD portsSpin-adapted implementation of DMRG for ab initio quantum chemistry
science/chemtool1.6.14_5FreeBSD portsDraw organic molecules easily and store them
science/chemtool-devel1.7.20050716_13FreeBSD portsDrawing organic molecules easily and store them (developer version)
science/chimes-calculator1.0.2_1FreeBSD portsChebyshev Interaction Model for Efficient Simulation
science/chrono9.0.1_6FreeBSD portsC++ library for multi-physics simulation
science/cif-tools2.0.0_1FreeBSD portsSuite of programs to manipulate and examine mmCIF files
science/clhep2.4.7.2FreeBSD portsObject-oriented toolkit for particle physics applications by CERN
science/clipper2.1.20180802_5FreeBSD portsLibraries for the organisation of crystallographic data
science/code_saturne8.1.1_10FreeBSD portsEDF's general purpose Computational Fluid Dynamics (CFD) software
science/conduit0.9.9_1FreeBSD portsSimplified data exchange for HPC simulations
science/coordgenlibs3.0.2FreeBSD portsSchrodinger-developed 2D coordinate generation
science/cp2k2026.2FreeBSD portsQuantum chemistry and solid state physics software package
science/cp2k-data2026.2FreeBSD portsData for cp2k quantum chemistry package
science/cpcmx1.1.0FreeBSD portsExtended conductor-like polarizable continuum solvation model
science/csvtk0.37.0_7FreeBSD portsCross-platform and ultrafast toolkit for CSV/TSV processing
science/dakota6.23.0_4FreeBSD portsInterface between analysis codes & iterative systems analysis methods
science/dalton2020.0_7FreeBSD portsPowerful molecular electronic structure program for quantum chemistry
science/dd_package2.2.0FreeBSD portsMQT decision diagram package tailored to quantum computing
science/devisor2.1_5FreeBSD portsDesign and Visualization Software Resource for FeatFlow
science/dftbplus25.1FreeBSD portsDFTB+: Package for performing fast atomistic simulations
science/dftd33.2.0.3_1FreeBSD portsS. Grimme's dispersion correction for DFT, Hartree-Fock methods
science/dftd44.3.0FreeBSD portsAtomic-charge dependent london dispersion correction computation
science/dimod0.12.22FreeBSD portsDWave: Shared API for QUBO/Ising samplers
science/dirac26.1_1FreeBSD portsProgram for atomic & molecular relativistic all-electron calculations
science/dkh1.2_6FreeBSD portsWolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
science/dlib-cpp20.0.1FreeBSD portsMachine learning framework written in C++
science/drawxtl5.5_1FreeBSD portsCrystal structure visualization tool
science/dssp4.5.8_1FreeBSD portsApplication to assign secondary structure to proteins
science/dwave-preprocessing0.6.11FreeBSD portsDWave: Preprocessing tools to aid in solving binary quadratic models
science/dynare7.0_1FreeBSD portsSoftware platform for handling a wide class of economic models
science/eccodes2.49.0FreeBSD portsECMWF API for WMO FM-92 GRIB and FM-94 BUFR messages
science/elk11.2.3FreeBSD portsAll-electron full-potential linearised augmented-planewave code
science/elmerfem26.2.1_2FreeBSD portsMultiphysical simulation software
science/epte2.0.8_2FreeBSD portsElectronic Periodic Table of the Elements
science/erd3.0.6_6FreeBSD portsAcesIII electron repulsion integrals
science/ergo3.8.2_2FreeBSD portsQuantum chemistry program for large-scale atomic calculations
science/erkaleg20260930FreeBSD portsQuantum chemistry program to solve the electronic structure of atoms
science/erkale-pseudopotentialsg20220405FreeBSD portsPseudopotentials for Erkale, the quantum chemistry program
science/fastcap2.0.w.010524,1FreeBSD portsThree-dimensional capacitance extraction program
science/fasthenry3.0.w.031424_1FreeBSD portsMultipole-accelerated inductance analysis program
science/fastjet3.5.1FreeBSD portsPackage for jet finding in pp and e+e- collisions
science/feff1010.0.0.16_1FreeBSD portsAb initio scattering calculations of X-ray absorption fine structure
science/fleur8.1FreeBSD portsFLAPW code for atomic computations in quantum chemistry and physics
science/frontistr5.2_8FreeBSD portsLarge-Scale Parallel FEM Program for Nonlinear Structural Analysis
science/fsomg20151117_2FreeBSD portsTiny C library for managing SOM (Self-Organizing Maps) neural networks
science/fvcom2.7.1_18FreeBSD portsUnstructured Grid Finite Volume Coastal Ocean Model
science/fvcom-mpi2.7.1_16FreeBSD portsUnstructured Grid Finite Volume Coastal Ocean Model
science/gabedit2.5.1.300720_2FreeBSD portsGraphical user interface for several chemistry software packages
science/gamess-us20181013_8FreeBSD portsGeneral Atomic and Molecular Electronic Structure System (US)
science/gbtolib3.0.3_6FreeBSD portsHigh-performance library for evaluation of molecular integrals
science/gchemutils0.14.17_6FreeBSD portsC++ classes and Gtk3 widgets related to chemistry
science/gcp2.3.2FreeBSD portsGeometrical Counter-Poise Correction
science/gdma2.2.6_6FreeBSD portsAnthony Stone's Gaussian Distributed Multipole Analysis
science/geant411.3.2FreeBSD portsSimulate the passage of particles through matter
science/gemmi0.7.5_1FreeBSD portsMacromolecular crystallography library and utilities
science/getdp4.0.0.r1FreeBSD portsRather general finite element solver using mixed finite elements
science/ghemical3.0.0_29FreeBSD portsComputational chemistry software package
science/ghmm0.9.r3_3FreeBSD portsGeneral Hidden Markov Model Library in C
science/gnudatalanguage1.1.3_5FreeBSD portsFree IDL-compatible incremental compiler
science/gpaw-setups0.9.20000FreeBSD portsSetups (data files) for py-gpaw, the DFT quantum chemistry software
science/gperiodic3.0.3_3FreeBSD portsGraphical application for browsing the periodic table
science/gramps6.0.8FreeBSD portsGTK3-based genealogy program
science/gromacs2026.3FreeBSD portsCompute molecular dynamics
science/gsmc1.1_7FreeBSD portsSmith chart program for impedance matching
science/h5utils1.13.2_4FreeBSD portsSet of utilities for visualization and conversion of HDF5 format
science/h5z-zfp1.1.1FreeBSD portsRegistered ZFP compression plugin for HDF5
science/harminv1.4.2_3FreeBSD portsSolver of harmonic inversion
science/hdf4.3.1,1FreeBSD portsHierarchical Data Format library (from NCSA)
science/hdf51.12.2_2,1FreeBSD portsHierarchical Data Format library (from NCSA) (latest)
science/hdf5-1101.10.11FreeBSD portsHierarchical Data Format library (from NCSA) 1.10.x
science/hdf5-181.8.23FreeBSD portsHierarchical Data Format library (from NCSA) 1.8
science/hdf5-212.1.1FreeBSD portsHierarchical Data Format library (from NCSA) 2.1
science/healpix3.83FreeBSD portsSoftware for pixelization, visualization, etc of data on the sphere
science/helfemg20251026_2FreeBSD portsFinite element methods for electronic structure calculations
science/hepmc33.3.1FreeBSD portsEvent record for High Energy Physics Monte Carlo generators/simulation
science/highfive3.3.0FreeBSD portsHeader-only C++ HDF5 interface
science/hpddm2.4.1_1FreeBSD portsFramework for high-performance domain decomposition methods
science/hypre3.2.0FreeBSD portsScalable Linear Solvers and Multigrid Methods
science/iboview20211019aFreeBSD portsProgram for analyzing molecular electronic structure
science/isaac-cfd4.2_17FreeBSD portsIntegrated Solution Algorithm for Arbitrary Configuration
science/jdftx1.7.0_10FreeBSD portsSoftware for joint density functional theory in chemistry
science/jmol16.1.25_3FreeBSD portsJava 3D viewer for chemical structures
science/jstrack3.4.0FreeBSD portsFreeware hurricane tracking program
science/kalzium26.08.2FreeBSD portsPeriodic table of elements for KDE
science/kim-api2.4.2FreeBSD portsFramework for reliable, reproducible, portable molecular simulations
science/kplib1.1.1FreeBSD portsLibrary for finding optimal Generalized Monkhorst-Pack k-points grid
science/kst3.0.0FreeBSD portsData viewing and plotting tool
science/lammps20260930FreeBSD portsClassical molecular dynamics code with a focus on materials modeling
science/lamprop2020.12.28FreeBSD portsCalculates properties of fiber reinforced composites
science/latte1.2.2_8FreeBSD portsQuantum chemistry: Density functional tight binding molecular dynamics
science/libaec1.1.7FreeBSD portsAdaptive entropy coding library
science/libccp48.0.0FreeBSD portsProtein X-ray crystallography toolkit
science/libcifpp10.0.4_1FreeBSD portsLibrary to manipulate mmCIF and PDB files
science/libcint6.1.3_2FreeBSD portsGeneral GTO integrals for quantum chemistry
science/libctl4.5.0_5FreeBSD portsControl Language Library
science/libecpint1.0.7FreeBSD portsLibrary for the evaluation of integrals over effective core potentials
science/libefp1.8.0FreeBSD portsEffective fragment potential method in quantum chemistry
science/libgetar1.1.7FreeBSD portsLibrary to read and write GEneric Trajectory ARchives
science/libghemical3.0.0_22FreeBSD portsSupport libraries of science/ghemical port
science/libgridxc2.0.3FreeBSD portsLibrary to compute the exchange and correlation energy and potentials
science/libint1.2.1.15FreeBSD portsEvaluate the integrals in modern atomic and molecular theory
science/libint22.12.0_1FreeBSD portsEvaluate the integrals in modern atomic and molecular theory
science/libint2-psi40.1.2.8.1_2FreeBSD portsEvaluate the integrals in modern atomic and molecular theory (psi4)
science/libkml1.3.0_32FreeBSD portsReference implementation of OGC KML 2.2
science/liblinear2.50FreeBSD portsLibrary for Large Linear Classification
science/libmbd0.15.0FreeBSD portsMany-body dispersion library
science/libminc2.5.0FreeBSD portsCore library and API of the MINC toolkit
science/libmsym0.2.3FreeBSD portsMolecular point group symmetry library
science/libnegf1.1.3_6FreeBSD portsNon Equilibrium Green's Functions library
science/liboglappth1.0.0_5FreeBSD portsSupport libraries of science/ghemical port
science/libpsml2.1.0FreeBSD portsLibrary to handle pseudopotentials in PSML format
science/libquantum1.1.1_1FreeBSD portsC library for quantum computing and quantum simulation
science/libssm1.4.0_4FreeBSD portsC++ toolkit for superposition of macromolecules
science/libsvm3.24FreeBSD portsLibrary for Support Vector Machines
science/libsvm-python3.24_1FreeBSD portsLibrary for Support Vector Machines
science/libvdwxc0.4.6.20190510FreeBSD portsVan der Waals density functional (DFT) library
science/libwignernj0.8.0FreeBSD portsLibrary for exact evaluation of Wigner/Clebsch-Gordan coefficients
science/libxc7.1.2FreeBSD portsLibrary of exchange-correlation functionals for DFT
science/liggghts3.8.0.58_9FreeBSD portsDiscrete element method particle simulation software
science/linearelasticity1.0.0FreeBSD portsElas, a solver for linear elasticity
science/linux-ai-ml-env1.0.2_1FreeBSD portsLinux Python environment for running Stable Diffusion models and PyTorch CUDA examples
science/linux-zotero6.0.10_2FreeBSD portsReference management for bibliographic data and research materials
science/luscus0.8.6_5FreeBSD portsMolecular editor and viewer
science/m-aneos1.0.1_1FreeBSD portsM-ANEOS: program for construction of thermodynamic equations of state
science/madness2026.09.05FreeBSD portsMultiresolution adaptive numeric environment for scientific simulation
science/maeparser1.3.3_3FreeBSD portsParser for Schrodinger Maestro files
science/massxpert6.0.3_1FreeBSD portsSoftware suite for (bio)chemists
science/mbdyn1.7.3_20FreeBSD portsMultiBody Dynamics analysis system
science/mcpl2.2.8FreeBSD portsMonte Carlo Particle Lists library
science/mcstas2.5FreeBSD portsMonte Carlo neutron ray tracing package
science/mcstas-comps2.5_3FreeBSD portsComponent Library for the McStas neutron ray tracing package
science/mctc-lib0.6.1FreeBSD portsComputation tool chain library to work with molecular structure data
science/mcxtrace1.2_1FreeBSD portsMonte Carlo X-ray tracing package
science/mcxtrace-comps1.2FreeBSD portsComponent Library for the McXtrace X-ray tracing package
science/mdynamix5.3.0_1FreeBSD portsGeneral purpose molecular dynamics code
science/medit2012.02.05_5FreeBSD portsInteractive meshes visualization
science/meep1.33.0_2FreeBSD portsFinite-difference time-domain software for electromagnetic simulations
science/metaphysicl1.3.3_1FreeBSD portsMetaprogramming, operator-overloaded classes for numerical simulations
science/minc-tools2.3.00_1FreeBSD portsBasic minc-tools from former minc repository
science/mmdb22.0.22FreeBSD portsC++ toolkit for working with macromolecular coordinate files
science/mmg5.8.0_1FreeBSD portsBidimensional and tridimensional remeshing
science/mmtf-cpp1.1.0_1FreeBSD portsC++ MMTF format API, decoder and encoder, for molecular structures
science/mol2ps0.4c_2FreeBSD portsRead molecular structure files and generate Postscript output
science/molgifg20180108_47FreeBSD portsTool to create GIF animations of molecules
science/molscript2.1.2_4FreeBSD portsDisplay 3D molecules in schematic and detailed representations
science/molsketch0.8.4FreeBSD ports2D molecule editor
science/moltui0.6.0FreeBSD portsTerminal-based 3D molecular viewer
science/mopac23.2.5_2,1FreeBSD portsSemi-empirical (MNDO, etc.) molecular orbital calculation
science/mp2dg20250131FreeBSD portsProgram for calculating the MP2D dispersion energy
science/mpb1.12.0_1FreeBSD portsMIT Photonic-Bands
science/mpqc2.3.1_54FreeBSD portsMassively Parallel Quantum Chemistry Program
science/mrchem1.1.4_1FreeBSD portsMultiResolution Chemistry
science/mrcpp1.5.0_2FreeBSD portsMultiResolution Computation Program Package
science/msms2.6.1_1FreeBSD portsProgram to efficiently compute molecular surfaces
science/mstore0.4.0FreeBSD portsMolecular structure store for testing
science/multicharge0.5.0_1FreeBSD portsElectronegativity equilibration model for atomic partial charges
science/multiwfn3.8_6FreeBSD portsMultifunctional wavefunction analysis for quantum chemistry
science/mutationpp1.0.6.d2FreeBSD portsMUlticomponent Thermodynamic And Transport library for IONized gases
science/namd2.12_4FreeBSD portsComputer software for molecular dynamics simulation
science/ncrystal4.4.6FreeBSD portsLibrary for thermal neutron transport in crystals and other materials
science/neko1.1.2FreeBSD portsFramework for high-order spectral element flow simulations
science/nest3.10_1FreeBSD portsSimulator for spiking neural network models
science/netcdf4.10.1FreeBSD portsC library for machine-independent, array-oriented data access
science/netcdf-cxx4.3.1_3FreeBSD portsC++ library for machine-independent, array-oriented data access
science/netcdf-fortran4.6.4FreeBSD portsFortran library for machine-independent, array-oriented data access
science/nifticlib3.0.1FreeBSD portsNeuroimaging Informatics Technology Initiative data format
science/nlcglib1.4.0FreeBSD portsNonlinear CG methods for wave-function optimization in DFT
science/numsa0.2.0FreeBSD portsSolvent accessible surface area calculation
science/nwchem7.3.1_1FreeBSD portsHigh-performance computational chemistry software
science/nwchem-data7.3.1FreeBSD portsData for NWChem, the computational chemistry software
science/ocean3.1.0_5FreeBSD portsBSE code for core spectroscopy
science/octopus16.4_1FreeBSD portsScientific program aimed at the ab initio virtual experimentation
science/openbabel3.2.1_1FreeBSD portsChemical toolbox designed to speak the many languages of chemical data
science/openems0.0.36_10FreeBSD portsElectromagnetic field solver using the EC-FDTD method
science/openkim-models2021.08.11_2FreeBSD portsOpen Knowledgebase of Interatomic Models
science/openmc0.16.0FreeBSD portsMonte Carlo neutron and photon transport simulation code
science/openmodelica1.25.7_3FreeBSD portsModelica-based modeling and simulation environment
science/openmolcas26.06FreeBSD portsQuantum chemistry software package
science/openmx3.9.9_3FreeBSD portsNanoscale material simulations using density functional theories (DFT)
science/opensim-core4.6FreeBSD portsSoftware for modeling of musculoskeletal structures
science/opensph0.4.1_12FreeBSD portsLibrary and graphical tools for running SPH and N-body simulations
science/opsin3.0.20190223_4FreeBSD portsOpen Parser for Systematic IUPAC Nomenclature of chemical names
science/optench1.2.5FreeBSD portsVirtual optical bench
science/orthanc1.13.0_1FreeBSD portsLightweight DICOM server for healthcare and medical research
science/orthanc-dicomweb1.24_1FreeBSD portsOrthanc DICOMWeb plugin
science/orthanc-mysql5.2_6FreeBSD portsOrthanc plugin to use MySQL/MariaDB for indexing or storage
science/orthanc-postgresql10.3_1FreeBSD portsOrthanc plugin to use PostgreSQL for indexing or storage
science/orthanc-webviewer2.10_2FreeBSD portsOrthanc web viewer plugin
science/p5-Chemistry-3DBuilder0.10_1FreeBSD portsGenerate 3D coordinates from a connection table
science/p5-Chemistry-Bond-Find0.23_1FreeBSD portsDetect bonds in a molecule and assign formal bond orders
science/p5-Chemistry-Canonicalize0.11_1FreeBSD portsNumber the atoms in a molecule in a unique way
science/p5-Chemistry-Elements1.081FreeBSD portsPerl extension for working with Chemical Elements
science/p5-Chemistry-File-MDLMol0.21_1FreeBSD portsMDL molfile reader/write
science/p5-Chemistry-File-Mopac0.15_1FreeBSD portsMOPAC 6 input file reader/writer
science/p5-Chemistry-File-PDB0.23_1FreeBSD portsPerl module to read and write PDB files
science/p5-Chemistry-File-SLN0.11_1FreeBSD portsSLN linear notation parser/writer
science/p5-Chemistry-File-SMARTS0.22_1FreeBSD portsSMARTS chemical substructure pattern linear notation parser
science/p5-Chemistry-File-SMILES0.47_2FreeBSD portsSMILES linear notation parser/writer
science/p5-Chemistry-File-VRML0.10_1FreeBSD portsGenerate VRML models for molecules
science/p5-Chemistry-File-XYZ0.11_1FreeBSD portsXYZ molecule format reader/writer
science/p5-Chemistry-FormulaPattern0.10_1FreeBSD portsMatch molecule by formula
science/p5-Chemistry-InternalCoords0.18_1FreeBSD portsRepresent the position of an atom using internal coordinates
science/p5-Chemistry-Isotope0.11_1FreeBSD portsTable of the isotopes exact mass data
science/p5-Chemistry-MacroMol0.06_1FreeBSD portsPerl toolkit to describe macromolecules
science/p5-Chemistry-MidasPattern0.11_1FreeBSD portsSelect atoms in macromolecules
science/p5-Chemistry-Mok0.25_1FreeBSD portsMolecular awk interpreter
science/p5-Chemistry-Mol0.40FreeBSD portsPerl toolkit to describe molecules
science/p5-Chemistry-OpenSMILES0.12.0FreeBSD portsOpenSMILES format reader and writer
science/p5-Chemistry-Pattern0.27_1FreeBSD portsChemical substructure pattern matching
science/p5-Chemistry-Reaction0.02_1FreeBSD portsRepresent a ring as a substructure of a molecule
science/p5-Chemistry-Ring0.20_1FreeBSD portsRepresent a ring as a substructure of a molecule
science/p5-Geo-BUFR1.42FreeBSD portsPerl extension for handling of WMO BUFR files
science/p5-Geo-Calc0.12FreeBSD portsSimple geo calculator for points and distances
science/p5-Geo-Coordinates-Converter0.13_1FreeBSD portsSimple converter of geo coordinates
science/p5-Geo-Coordinates-Converter-iArea0.14_1FreeBSD portsSome utility functions around iArea
science/p5-Geo-Coordinates-Transform0.10FreeBSD portsTransform Latitude/Longitude between various different coordinate functions
science/p5-Geo-WebService-Elevation-USGS0.202FreeBSD portsPerl extension for elevation queries against USGS web services
science/p5-Mcstas-Tools2.5_3FreeBSD portsPerl based tools for the McStas neutron ray tracing package
science/p5-PerlMol0.3500_2FreeBSD portsPerl modules for molecular chemistry
science/p5-Physics-Unit0.60FreeBSD portsManipulate Physics units and dimensions
science/packmol21.2.3FreeBSD portsCreates Initial Configurations for Molecular Dynamics Simulations
science/pagmo22.20.0FreeBSD portsPlatform to perform parallel computations of optimization tasks
science/paje1.97_13FreeBSD portsGeneric visualization tool for GNUstep (Gantt chart and more)
science/paraview6.2.0_2FreeBSD portsPowerful scientific data visualization application
science/parthenon25.12.700FreeBSD portsPortable block-structured Adaptive Mesh Refinement (AMR) framework
science/pastix6.3.2_4FreeBSD portsPaStiX: a sparse direct solver
science/pcmsolver1.3.0_3FreeBSD portsAPI for the Polarizable Continuum Model
science/phonopy4.0.0FreeBSD portsPackage for phonon calculations at harmonic and quasi-harmonic levels
science/plumed2.10.1FreeBSD portsPLUgin for MolEcular Dynamics
science/pnetcdf1.15.1FreeBSD portsLibrary providing high-performance I/O
science/polytope0.7.5_1FreeBSD portsLibrary for generating Voronoi and Voronoi-like tessellations
science/precice3.4.1_3FreeBSD portsCoupling library for partitioned multi-physics simulations
science/psi41.11FreeBSD portsOpen-source suite of ab initio quantum chemistry programs
science/pulseview0.4.2_9FreeBSD portsGUI client that supports various hardware logic analyzers
science/py-GPy1.14.2FreeBSD portsGaussian process toolbox
science/py-GPyOpt1.2.6_4FreeBSD portsBayesian optimization toolbox based on GPy
science/py-HepMC33.3.1FreeBSD portsEvent record for High Energy Physics Monte Carlo generators/simulation
science/py-HofstadterTools1.0.7FreeBSD portsPackage for analyzing the Hofstadter model of particles in the lattice
science/py-MDAnalysis2.10.0_4FreeBSD portsPython library to analyze molecular dynamics trajectories
science/py-MDAnalysisTests2.10.0_1FreeBSD portsTest code and the trajectory data for test cases of MDAnalysis
science/py-OpenFermion1.8.1FreeBSD portsElectronic structure package for quantum computers
science/py-OpenFermion-Diracg20220812_3FreeBSD portsInterface between OpenFermion and Dirac
science/py-OpenFermion-PySCF0.5_3FreeBSD portsInterface between OpenFermion and PySCF
science/py-OpenMC0.16.0FreeBSD portsMonte Carlo neutron and photon transport simulation code (Python)
science/py-PubChemPy1.0.5FreeBSD portsSimple Python wrapper around the PubChem PUG REST API
science/py-PyFR3.1_2FreeBSD portsFramework for solving advection-diffusion type problems
science/py-PyNE0.7.8.226FreeBSD portsPyNE: The Nuclear Engineering Toolkit
science/py-SimpleSpectral1.0.0_6FreeBSD portsSimplified scipy.signal.spectral module with only pyFFTW support
science/py-abipy1.0.0FreeBSD portsLibrary for analyzing the results produced by ABINIT
science/py-access1.1.10_1FreeBSD portsCalculate spatial accessibility metrics
science/py-arbor0.12.2FreeBSD portsMulti-compartment neural network simulation library
science/py-arch8.0.0_1FreeBSD portsAutoregressive Conditional Heteroskedasticity (ARCH) models
science/py-asap33.13.11_2FreeBSD portsClassical potentials for MD with ASE
science/py-asdf5.4.0FreeBSD portsPython tools to handle ASDF files
science/py-asdf-standard1.5.0FreeBSD portsASDF Standard schemas
science/py-asdf-transform-schemas0.6.0FreeBSD portsASDF schemas for transforms
science/py-ase3.29.0FreeBSD portsAtomic simulation environment
science/py-atomium1.0.11_6FreeBSD portsMolecular modeller and file parser
science/py-avogadrolibs2.0.0FreeBSD portsPython bindings for Avogadro2 chemistry libraries
science/py-boutdata0.4.0_2FreeBSD portsPython package for collecting BOUT++ data
science/py-boututils0.2.1_2FreeBSD portsPython package containing BOUT++ utils
science/py-cdo1.6.1FreeBSD portsPython binding to CDO (Climate Data Operators)
science/py-cfgrib0.9.15.1_2FreeBSD portsMap GRIB files to the NetCDF Common Data Model following the CF Convention using ecCodes
science/py-chainer7.8.1_16FreeBSD portsDeep learning framework
science/py-chainer-chemistry0.7.1_5FreeBSD portsLibrary for deep learning in biology and chemistry
science/py-chempy0.10.2FreeBSD portsPackage useful for solving problems in chemistry
science/py-cirq-aqt1.7.0FreeBSD portsCirq module to run on AQT quantum computers
science/py-cirq-core1.7.0FreeBSD portsFramework for Noisy Intermediate Scale Quantum (NISQ) circuits
science/py-cirq-google1.7.0FreeBSD portsGoogle Cirq adapter for IQM's quantum architectures
science/py-cirq-ionq1.7.0FreeBSD portsCirq module to run on IonQ quantum computers
science/py-cirq-pasqal1.7.0FreeBSD portsCirq module to run on pasqal quantum computers
science/py-cirq-web1.7.0FreeBSD portsCirq module to visualize quantum circuits in 3D in a web browser
science/py-coards1.0.5_4FreeBSD portsCOARDS compliant time parser
science/py-corner2.3.0FreeBSD portsMake some beautiful corner plots
science/py-dftbplus25.1FreeBSD portsDFTB+: Package for performing fast atomistic simulations
science/py-dftd44.3.0FreeBSD portsPython API of the DFT-D4 project
science/py-dimod0.12.22FreeBSD portsDWave: Shared API for QUBO/Ising samplers
science/py-dipy1.12.1FreeBSD portsPython toolbox for analysis of MR diffusion imaging
science/py-dlib20.0.1FreeBSD portsMachine learning framework written in C++ (python bindings)
science/py-dwave-cloud-client0.14.8FreeBSD portsDWave: REST interface to communicate with D-Wave Solver API servers
science/py-dwave-gate0.6.0FreeBSD portsDWave: Gate model library
science/py-dwave-graphs1.2.0FreeBSD portsD-Wave: Library for graph theory and algorithms
science/py-dwave-greedy0.3.0_3FreeBSD portsDWave: Greedy binary quadratic model solvers
science/py-dwave-hybrid0.6.16FreeBSD portsDWave: Hybrid asynchronous decomposition sampler prototype framework
science/py-dwave-inspector0.5.5_2FreeBSD portsDWave: Problem Inspector
science/py-dwave-neal0.6.0_3FreeBSD portsDWave: Simulated annealing sampler for general Ising model graphs
science/py-dwave-networkx0.8.19_2FreeBSD portsDWave: Extension of the NetworkX Python package for graphs
science/py-dwave-ocean-sdk9.5.0FreeBSD portsDWave: Meta-package for D-Wave's Ocean tools
science/py-dwave-optimization0.7.3FreeBSD portsDWave: Nonlinear models for industrial optimization problems
science/py-dwave-preprocessing0.6.11_2FreeBSD portsDWave: Preprocessing tools to aid in solving binary quadratic models
science/py-dwave-samplers1.8.0FreeBSD portsDWave: Classical algorithms for solving binary quadratic models
science/py-dwave-system1.36.0FreeBSD portsDWave: API for incorporating the D-Wave system as a sampler
science/py-dwave-tabu0.5.0_3FreeBSD portsDWave: Tabu solver for QUBO/Ising problems
science/py-dwavebinarycsp0.3.1FreeBSD portsDWave: Map CSP with binary variables to binary quadratic models
science/py-earthpy1.0.0FreeBSD portsPlot and manipulate spatial data in Python
science/py-eccodes2.48.0FreeBSD portsPython interface to the ecCodes BUFR and GRIB de/encoder
science/py-emmet-core0.87.2FreeBSD portsMaterials API Toolkit for the Materials Project
science/py-endf0.1.12FreeBSD portsPython interface to ENDF-6 and ACE format nuclear data files
science/py-esda2.10.0FreeBSD portsExploratory Spatial Data Analysis
science/py-fresnel0.13.8FreeBSD portsPublication quality path tracing in real time
science/py-gemmi0.7.5_1FreeBSD portsMacromolecular crystallography library and utilities
science/py-geolinks0.2.3_1FreeBSD portsUtilities to deal with geospatial links
science/py-geomet1.1.0FreeBSD portsGeoJSON <-> WKT/WKB conversion utilities
science/py-geometer0.4.2_3FreeBSD portsPython geometry package based on projective geometry and numpy
science/py-geometric1.1.1FreeBSD portsGeometry optimization for quantum chemistry
science/py-gpaw26.7.0FreeBSD portsDFT and beyond within the projector-augmented wave method in chemistry
science/py-gsd5.0.1FreeBSD portsGSD (General Simulation Data) file format for Python
science/py-gwlearn0.2.0FreeBSD portsGeographically weighted modeling based on scikit-learn
science/py-h5json2.0.0FreeBSD portsTools and library for representing HDF5 in JSON
science/py-h5netcdf1.8.1FreeBSD portsnetCDF4 via h5py
science/py-h5py3.16.0_1FreeBSD portsGeneral-purpose Python interface to the HDF5 library
science/py-h5pyd1.0.0FreeBSD portsH5py compatible client lib for HDF REST API
science/py-hdmf6.2.0FreeBSD portsHierarchical data modeling framework for modern science data standards
science/py-hiPhive1.5_2FreeBSD portsHigh-order force constants for the masses
science/py-hoomd-blue7.2.0FreeBSD portsMolecular dynamics and Monte Carlo soft matter simulation
science/py-icet4.0FreeBSD portsPythonic approach to alloy cluster expansions
science/py-igor20.5.13FreeBSD portsInterface for reading binary IGOR files
science/py-inequality1.2.0FreeBSD portsSpatial inequality analysis for PySAL
science/py-ipygany0.5.0_6FreeBSD ports3-D scientific visualization in Jupyter Notebooks
science/py-jupyter_jsmol2022.1.0_3FreeBSD portsJSmol viewer widget for Jupyter Notebooks and JupyterLab
science/py-kim-query4.0.0FreeBSD portsHelper routines for querying the OpenKIM repository
science/py-kimpy2.1.4FreeBSD portsPython interface to the KIM-API
science/py-kinematics0.1.7_4FreeBSD portsPython module to do attitude kinematics
science/py-kliff1.0.1.45FreeBSD portsKIM-based Learning-Integrated Fitting Framework
science/py-klusta3.0.16FreeBSD portsSpike detection and automatic clustering for spike sorting
science/py-kpLib1.1.1_3FreeBSD portsLibrary for finding optimal Generalized Monkhorst-Pack k-points grid
science/py-liac-arff2.5.0_1FreeBSD portsRead and write ARFF files in Python
science/py-libgetar1.1.7_2FreeBSD portsLibrary to read and write GEneric Trajectory ARchives
science/py-libpysal4.15.0_1FreeBSD portsCore components of PySAL A library of spatial analysis functions
science/py-libwignernj0.8.0FreeBSD portsPython bindings for libwignernj
science/py-lifelines0.19.5_6FreeBSD portsSurvival analysis in Python
science/py-mercantile1.2.1_1FreeBSD portsWeb mercator XYZ tile utilities
science/py-meshio5.3.5_2FreeBSD portsI/O for many mesh formats
science/py-mmcif1.2.0FreeBSD portsLibrary for accessing mmCIF data
science/py-mmtf-python1.1.3_4FreeBSD portsMMTF (Macromolecular Transmission Format) Python API
science/py-mne1.13.2FreeBSD portsPython project for MEG and EEG data analysis
science/py-morphio3.4.2FreeBSD portsNeuron morphology IO library
science/py-mp-api0.46.5FreeBSD portsAPI for server for the Materials Project
science/py-mpcontribs-client5.10.5FreeBSD portsClient library for MPContribs API on contribs-api.materialsproject.org
science/py-mplhep1.3.3FreeBSD portsMatplotlib styles for HEP
science/py-mplhep-data0.1.0FreeBSD portsFont (Data) sub-package for mplhep
science/py-mrchem1.1.4FreeBSD portsMultiResolution Chemistry
science/py-ncrystal4.4.6FreeBSD portsLibrary for thermal neutron transport in crystals and other materials
science/py-neo0.14.5FreeBSD portsPackage for representing electrophysiology data in Python
science/py-netCDF41.7.2_2FreeBSD portsPython Interface to the NetCDF Library (versions 3 and 4)
science/py-netcdf-flattener1.2.0_2FreeBSD portsFlatten NetCDF files while preserving references
science/py-nglview4.0.1FreeBSD portsIPython widget to view molecular structures and trajectories
science/py-nibabel5.4.2FreeBSD portsRead/write some common neuroimaging file formats
science/py-nixio1.5.4FreeBSD portsPython reimplementation of NIX data format
science/py-obspy1.5.0_1FreeBSD portsPython framework for seismological observatories
science/py-oddt0.7_5FreeBSD portsOpen Drug Discovery Toolkit
science/py-openbabel3.2.1FreeBSD portsChemical toolbox designed to speak the many languages of chemical data
science/py-openpiv0.25.5FreeBSD portsPython module for Particle Image Velocimetry
science/py-optking0.5.0_1FreeBSD portsPython version of the PSI4 geometry optimization program by R.A. King
science/py-paida3.2.1.2.10_2FreeBSD portsPure Python scientific analysis package
science/py-paramz0.10.0FreeBSD portsParameterization framework
science/py-penaltymodel1.3.0_2FreeBSD portsDWave: Utilities and interfaces for using penalty models
science/py-periodictable2.1.0_2FreeBSD portsExtensible periodic table of the elements pre-populated with data
science/py-phono3py4.8.2FreeBSD portsSoftware to calculate phonon-phonon interaction and related properties
science/py-phonopy4.8.3FreeBSD portsPackage for phonon calculations at harmonic and quasi-harmonic levels
science/py-phonors0.6.0_1FreeBSD portsRust kernels for phonopy and phono3py
science/py-plumed2.10.0FreeBSD portsPython interface to PLUMED
science/py-pnetcdf1.0.0_5FreeBSD portsObject-oriented python interface to the PnetCDF library
science/py-probeinterface0.4.0FreeBSD portsPython package to handle probe layout and geometry
science/py-psims1.4.0FreeBSD portsWriters and controlled vocabulary manager for PSI-MS's mzML and mzIdentML standards
science/py-pupynere1.0.15_12FreeBSD portsNetCDF file reader and writer
science/py-py3Dmol2.4.2_1FreeBSD portsIPython interface for embedding 3Dmol.js views
science/py-pyaixi1.0.4_2FreeBSD portsImplementation of the MC-AIXI-CTW AI algorithm
science/py-pyberny0.7.0FreeBSD portsOptimizer of molecular geometries with respect to the total energy
science/py-pycsw2.6.2_2FreeBSD portsOGC CSW server implementation
science/py-pydicom3.0.2FreeBSD portsRead, modify, and write DICOM files with Python code
science/py-pydoe1.5.0FreeBSD portsDesign of Experiments for Python
science/py-pygeodesy26.9.9FreeBSD portsPure Python geodesy tools
science/py-pygeometa0.21.1FreeBSD portsGenerate metadata for geospatial datasets
science/py-pygmo22.20.0FreeBSD portsPython platform to perform parallel computations of optimisation tasks
science/py-pyked0.5.0FreeBSD portsPackage for manipulating Chemical Kinetics Experimental Data files
science/py-pymatgen2026.9.24FreeBSD portsPython Materials Genomics is a robust materials analysis code
science/py-pymatgen-analysis-alloys0.0.9FreeBSD portsPyMatgen add-on library with classes useful for describing alloys
science/py-pymatgen-core2026.10.16FreeBSD portsPython Materials Genomics core data structures and algorithms
science/py-pymatgen-io-validation0.1.4FreeBSD portsIO validation for pymatgen
science/py-pymbd0.15.0FreeBSD portsMany-body dispersion library
science/py-pymol3.1.0FreeBSD portsOpenGL-based molecular visualization system
science/py-pynrrd1.1.3_2FreeBSD portsPure Python module for reading and writing NRRD files
science/py-pynwb4.2.0FreeBSD portsPackage for working with Neurodata stored in the NWB format
science/py-pyosf1.0.5_1FreeBSD portsPython library for synching with OpenScienceFramework projects
science/py-pyphot2.1.1_1FreeBSD portsLibrary for computing photometry from spectra
science/py-pyprecice3.4.0FreeBSD portsCoupling library for partitioned multi-physics simulations
science/py-pyqubo1.5.0FreeBSD portsDWave: Python DSL for constructing QUBOs from mathematical expressions
science/py-pysal26.7_1FreeBSD portsMeta Package for PySAL - A library of spatial analysis functions
science/py-pyscf2.14.0FreeBSD portsPython module for quantum chemistry
science/py-pyteomics5.0.1FreeBSD portsPython modules for proteomics data analysis
science/py-qcelemental0.51.2FreeBSD portsEssentials for quantum chemistry
science/py-qcengine0.51.0_2FreeBSD portsQuantum chemistry program executor and IO standardizer (QCSchema)
science/py-qcmanybody0.8.0FreeBSD portsMany-body expansion tools for quantum chemistry
science/py-qiskit2.5.1_2FreeBSD portsOpen-source SDK for working with quantum computers
science/py-qspin2.3.3_3FreeBSD portsLearn quantum spin and entanglement
science/py-quantities0.16.4_2FreeBSD portsSupport for physical quantities with units, based on numpy
science/py-rmf1.7.2FreeBSD portsLibrary to support reading and writing of Rich Molecular Format files
science/py-rmsd1.7.0FreeBSD portsCalculate root-mean-square deviation (RMSD) between coordinate sets
science/py-ruffus2.8.4_1FreeBSD portsLightweight library for computational pipelines
science/py-sarkit1.12.0FreeBSD portsSuite of SAR-related tools in Python
science/py-sarpy2.1.1FreeBSD portsRead, write and process complex SAR and other associated data
science/py-scikit-fuzzy0.5.0_3FreeBSD portsFuzzy logic toolkit for SciPy
science/py-scikit-learn1.9.0_2FreeBSD portsMachine learning algorithms for python
science/py-scikit-optimize0.10.2_2FreeBSD portsSequential model-based optimization toolbox
science/py-scikit-rf2.1.0FreeBSD portsRF and Microwave Engineering Scikit in Python
science/py-scikit-sparse0.5.0FreeBSD portsSparse matrix package
science/py-scimath5.0.0_3FreeBSD portsScientific and Mathematical calculations
science/py-scipy1.17.1_5,1FreeBSD portsScientific tools for Python
science/py-scipy-stubs1.18.1.1FreeBSD portsType annotations for SciPy
science/py-scoria1.0.5_4FreeBSD portsLightweight molecule manipulation codebase
science/py-sdf0.1_6FreeBSD portsSimple SDF mesh generation in Python
science/py-seekpath2.2.2FreeBSD portsObtain, visualize k-vector coefficients in crystal Brillouin zone
science/py-segregation2.6.0FreeBSD portsAnalytics for spatial and non-spatial segregation in Python
science/py-segyio1.9.14FreeBSD portsPython binding for segyio, the seismic data library
science/py-signac2.4.1FreeBSD portsManage large and heterogeneous data spaces on the file system
science/py-sklearn-pandas2.2.0_4FreeBSD portsPandas integration with sklearn
science/py-skrebate0.8.4,1FreeBSD portsFeature selection algorithms based on Relief-based methods
science/py-spaghetti1.7.6_2FreeBSD portsAnalysis of Network-constrained Spatial Data
science/py-spglib2.8.0FreeBSD portsLibrary for finding and handling crystal symmetries (python binding)
science/py-spml0.2.2FreeBSD portsSpatial machine learning
science/py-symfc1.7.3FreeBSD portsGenerate symmetrized force constants
science/py-tensorflow2.21.0_4FreeBSD portsComputation using data flow graphs for scalable machine learning
science/py-thewalrus0.22.0FreeBSD portsOpen source library for hafnian calculation
science/py-tobler0.14.0FreeBSD portsAreal Interpolation
science/py-trainstation1.2FreeBSD portsConvenient training of linear models
science/py-trx-python0.6FreeBSD portsExperiments with new file format for tractography
science/py-tweedledum1.2.0FreeBSD portsLibrary for analysis, compilation, synthesis of quantum circuits
science/py-vedo2026.6.1_1FreeBSD portsPython module for scientific analysis and visualization of 3D objects
science/py-veusz4.2.1FreeBSD portsScientific plotting package
science/py-xbout0.4.0FreeBSD portsCollect data from BOUT++ runs in python using xarray
science/pybrain0.3.3_6FreeBSD portsSwiss Army knife for neural networking
science/pynn0.12.3_3FreeBSD portsSimulator-independent language for building neuronal network models
science/q6.0_2FreeBSD portsMolecular Dynamics (MD) tools
science/qbox1.79.0FreeBSD portsFirst-principles molecular dynamics code
science/qcl0.6.7FreeBSD portsQuantum computer simulator
science/qiskit-aer0.16.0.1_5FreeBSD portsQuantum circuits simulator submodule of the Qiskit framework
science/qmcpack4.1.0_4FreeBSD portsMany-body ab initio Quantum Monte Carlo code for quantum chemistry
science/qt6-quick3dphysics6.11.2FreeBSD portsHigh-level API for physics simulation
science/quantum-espresso7.6FreeBSD portsPackage for research in electronic structure, simulation, optimization
science/quantum-espresso-pseudopotentialsg20220916FreeBSD portsPseudopotentials for use with Quantum Espresso
science/quantum-jet0.2.2.2_5FreeBSD portsCross-platform header-only library for simulating quantum circuits
science/qwalk1.0.1.300_6FreeBSD portsQuantum Monte Carlo package for quantum chemistry computations
science/rdkit2026.03.6FreeBSD portsCollection of cheminformatics and machine-learning software
science/rmf1.7.2_1FreeBSD portsLibrary to support reading and writing of Rich Molecular Format files
science/rubygem-ai4r1.13FreeBSD portsVarious Ruby artificial intelligence algorithm implementations
science/rubygem-cdo1.5.1_1FreeBSD portsRuby binding to CDO (Climate Data Operators)
science/rubygem-rgeo3.1.0FreeBSD portsGeospatial data library for Ruby (RGeo)
science/rubygem-rgeo-geojson2.2.0FreeBSD portsGeoJSON formatting and parsing in Ruby
science/rubygem-rgeo-proj45.0.0_1FreeBSD portsProj.4 extension for RGeo
science/rubygem-rgeo-shapefile3.1.0_1FreeBSD portsRGeo module for reading the ESRI shapefile format
science/rubygem-ruby-netcdf0.8.0_1FreeBSD portsRuby interface to the NetCDF scientific IO library
science/salome-configuration9.15.0FreeBSD portsSalome Project: Multi-physics simulations: Configuration
science/salome-kernel9.11.0_8FreeBSD portsSalome Project: Multi-physics simulations: Kernel
science/scidavis2.9.2_3FreeBSD portsScientific data analysis and visualization
science/sciplot0.3.1FreeBSD portsModern C++ scientific plotting library powered by gnuplot
science/seacas2025.10.14_1FreeBSD portsSandia Engineering Analysis Code Access System (SEACAS)
science/segyio1.9.14FreeBSD portsLibrary to interact with SEG-Y & Seismic Unix formatted seismic data
science/shelxle1.0.1861FreeBSD portsGraphical user interface for small-molecule structure refinement
science/siconos4.5.0_4FreeBSD portsSimulation framework for nonsmooth dynamical systems
science/siesta5.4.2_1FreeBSD portsProgram to perform efficient electronic structure calculations
science/sigrok-cli0.7.2_2FreeBSD portsFramework for hardware logic analyzers, CLI client
science/sigrok-firmware20150123FreeBSD portsSigrok firmware
science/sigrok-firmware-fx2lafw0.1.7FreeBSD portsCypress FX2 firmware for hardware logic analyzers
science/sigrok-firmware-utils20140418_3FreeBSD portsSigrok firmware extraction utilities
science/silo4.12.1_1FreeBSD portsMesh and field I/O library and scientific database
science/simbody3.8.80.a3.f10FreeBSD portsMultibody dynamics library for (bio)mechanical systems simulation
science/simgrid4.1_2FreeBSD portsSimulator of the behavior of large-scale distributed systems
science/simint0.8FreeBSD portsObara-Saika (OS) method of calculating electron repulsion integrals
science/simlib3.09FreeBSD portsSIMulation LIBrary for C++ programming language
science/simple-dftd31.4.0FreeBSD portsReimplementation of the DFT-D3 program
science/simsmith9.9_3FreeBSD portsJava-based Smith Chart program
science/sirius7.11.1_2FreeBSD portsDomain specific library for electronic structure calculations
science/smith0.1.0_1FreeBSD portsHigh order nonlinear thermomechanical simulation code
science/smoldyn2.75_1FreeBSD portsBiochemical simulator for molecular diffusion, surface interactions
science/sparta2024.09.4FreeBSD portsGas simulator: SPARTA DSMC software package
science/spglib2.8.0FreeBSD portsC library for finding and handling crystal symmetries
science/spheral2026.06.0_6FreeBSD portsEnvironment for hydrodynamical & gravitational numerical simulations
science/step26.08.2FreeBSD portsKDE interactive physics simulator
science/sz33.3.2_2FreeBSD portsModular Error-bounded Lossy Compression Framework for Scientific Datasets
science/tblite0.7.0FreeBSD portsLight-weight tight-binding framework
science/teem1.11.0FreeBSD portsLibraries for representing, processing and visualizing scientific data
science/tfel5.1.0_2FreeBSD portsCode generation tool dedicated to material knowledge
science/tfel-edf3.2.1.1_12FreeBSD portsCode generation tool dedicated to material knowledge
science/thermofun0.7.1FreeBSD portsCode for calculating thermodynamic properties of materials
science/tinker26.1.2FreeBSD portsGeneral purpose molecular modelling package
science/trilinos16.2.0_1FreeBSD portsSolver for multi-physics engineering and scientific problems
science/ttk1.4.0_2FreeBSD portsTopology ToolKit: Topological data analysis and visualization
science/tweedledum1.1.1FreeBSD portsLibrary for analysis, compilation, synthesis of quantum circuits
science/udunits2.2.28FreeBSD portsLibrary for manipulating units of physical quantities
science/ukrmol+3.2_7FreeBSD portsCode to compute electron and positron scattering from molecules
science/v_sim3.9.1_3FreeBSD portsVisualization of atomic structures
science/vipster1.19.1.b.109_3FreeBSD portsCrystalline and molecular structure visualisation program
science/vmd1.9.4_3FreeBSD portsMolecular visualization program
science/voro++0.4.6_2FreeBSD portsThree-dimensional computations of the Voronoi tessellation
science/votca2026_6FreeBSD portsCSG and XTP: libraries for atomistic simulations
science/wannier904.0.3FreeBSD portsMaximally-localized Wannier functions (MLWFs) and Wannier90
science/wwplot1.0.1_2FreeBSD portsPlotting tool for experimental physics classes
science/wxmacmolplt7.7.43_5FreeBSD portsGraphical user interface principally for the GAMESS program
science/xcfun2.1.1.1FreeBSD portsExchange-correlation functionals with arbitrary-order derivatives
science/xcrysden1.6.2_5FreeBSD portsCrystalline and molecular structure visualisation program
science/xdrawchem2.0.1FreeBSD portsTwo-dimensional molecule drawing program
science/xtb6.7.1FreeBSD portsSemiempirical Extended Tight-Binding Program Package
science/yoda2.1.4FreeBSD portsParticle physics package with classes for data analysis, histogramming
science/zotero9.0.4FreeBSD portsReference management for bibliographic data and research materials
x11-toolkits/py-fonticon-fontawesome66.4.0FreeBSD portsFontAwesome 6 extension for superqt font icons