BSD Portsscience 471 DragonFly ports
Scientific ports that fit into no other category
| Port | Version | Repository | Comment |
|---|---|---|---|
| astro/p5-Astro-Constants | 0.1400 | DPorts | Physical constants for use in astronomy |
| astro/py-pymeeus | 0.5.12_1 | DPorts | Python implementation of Jean Meeus astronomical routines |
| audio/praat | 6.4.27_1 | DPorts | Speech analysis tool used for doing phonetics by computer |
| biology/barrnap | 0.9 | DPorts | BAsic Rapid Ribosomal RNA Predictor |
| biology/ugene | 40.1_1 | DPorts | Integrated bioinformatics toolkit |
| cad/feappv | 5.1.2.e | DPorts | Finite element analysis program (personal version) |
| cad/opencascade | 7.8.1_5 | DPorts | Open CASCADE Technology, 3D modeling & numerical simulation |
| cad/scotch | 6.0.4.a7_6 | DPorts | Package for graph and mesh partitioning and sparse matrix ordering |
| comms/hackrf | 2021.03.1_1 | DPorts | Low cost open source hardware software radio platform |
| comms/hackrf-devel | g2021.01.24_1 | DPorts | Low cost open source hardware software radio platform |
| devel/blitz | 1.0.2_4 | DPorts | Blitz++ Multi-Dimensional Array Library for C++ |
| devel/ftxui | 5.0.0 | DPorts | C++ Functional Terminal User Interface (TUI) library |
| devel/iscd-commons | 1.0.0 | DPorts | Common code shared by many ISCD softwares |
| devel/py-app-model | 0.3.1 | DPorts | Generic application schema implemented in python |
| devel/py-ast2json | 0.4_1 | DPorts | Convert a python source code into json-dumpable AST data |
| devel/py-bashlex | 0.18 | DPorts | Python parser for bash |
| devel/py-fire | 0.7.0_1 | DPorts | Library for automatically generating command line interfaces (CLIs) |
| devel/py-in-n-out | 0.2.1 | DPorts | Plugable dependency injection and result processing |
| devel/py-printree | 0.2.1 | DPorts | Pretty print python objects in a tree format |
| devel/py-pyconify | 0.1.6 | DPorts | Iconify for python: Universal icon framework |
| devel/py-rtree | 1.2.0_1 | DPorts | R-Tree Spatial Index For Python GIS |
| devel/py-zfp | 1.0.1 | DPorts | High throughput library for compressed floating-point arrays |
| devel/zfp | 1.0.1 | DPorts | High throughput library for compressed floating-point arrays |
| french/med | 4.0.0_3 | DPorts | Modelisation et Echanges de Donnees |
| graphics/engauge-digitizer | 12.2.2_36 | DPorts | Extract data points from images of graphs |
| graphics/py-colorcet | 3.1.0 | DPorts | Useful perceptually uniform colormaps for plotting scientific data |
| graphics/py-pyqtgraph | 0.13.7_1 | DPorts | Scientific graphics and GUI library for Python |
| graphics/py-vispy | 0.14.3 | DPorts | High-performance interactive 2D/3D data visualization library |
| graphics/tachyon | 0.98.9_2 | DPorts | Multiproccess ray tracing system |
| lang/p5-Quantum-Superpositions | 2.03 | DPorts | QM-like superpositions in Perl |
| math/R-cran-psych | 2.4.12 | DPorts | Psych package for the R project |
| math/SCIP | 8.1.0_1 | DPorts | Solver for mixed integer, mixed integer nonlinear programming |
| math/SoPlex | 6.0.4 | DPorts | Optimization package for solving linear programming problems (LPs) |
| math/alglib | 4.04.0 | DPorts | Numerical analysis and data processing library |
| math/ann | 1.1.2_1 | DPorts | Library for Approximate Nearest Neighbor Searching |
| math/fann | 2.2.0.20230126 | DPorts | Free open source neural network library |
| math/libxsmm | 1.17_1 | DPorts | Library for dense and sparse matrix operations and deep learning |
| math/mathex | 0.3.b | DPorts | C++ library to parse/evaluate mathematical expressions |
| math/parmgridgen | 1.0_17 | DPorts | Library for obtaining a sequence of successive coarse grids |
| math/py-deap | 1.4.1_1 | DPorts | Distributed Evolutionary Algorithms in Python |
| math/rapid | 2.01_1 | DPorts | Robust and Accurate Polygon Interference Detection |
| math/sprng | 5.0_2 | DPorts | Scalable Parallel Pseudo Random Number Generators Library |
| misc/openmvg | 2.1_6 | DPorts | Multiple View Geometry (MVG) library |
| misc/vxl | 3.3.2_3 | DPorts | C++ libraries for computer vision and image understanding |
| science/2d-rewriter | 1.6_1 | DPorts | Cellular automata simulator |
| science/ALPSCore | 2.3.2 | DPorts | Generic algorithms and utilities for condensed matter physics |
| science/ChipmunkPhysics | 7.0.1_2 | DPorts | 2D physics engine written in C |
| science/R-cran-DCluster | 0.2.8 | DPorts | Functions for the detection of spatial clusters of diseases |
| science/R-cran-Epi | 2.59 | DPorts | Package for statistical analysis in epidemiology |
| science/R-cran-FAdist | 2.4_1 | DPorts | Probability distributions that are sometimes useful in hydrology |
| science/R-cran-bayesm | 3.1.6 | DPorts | Bayesian Inference for Marketing/Micro-econometrics |
| science/R-cran-cmprsk | 2.2.12 | DPorts | Subdistribution Analysis of Competing Risks |
| science/R-cran-e1071 | 1.7.16 | DPorts | Misc Functions of the Department of Statistics (e1071), TU Wien |
| science/R-cran-eco | 4.0.3 | DPorts | R Package for Ecological Inference in 2x2 Tables |
| science/R-cran-epicalc | 2.15.1.0_12 | DPorts | Epidemiological calculator |
| science/R-cran-etm | 1.1.1_1 | DPorts | Empirical Transition Matrix |
| science/R-cran-fastICA | 1.2.7 | DPorts | FastICA Algorithms to Perform ICA and Projection Pursuit |
| science/R-cran-kernlab | 0.9.33 | DPorts | Kernel-Based Machine Learning Lab |
| science/R-cran-ks | 1.14.3 | DPorts | Kernel Smoothing |
| science/R-cran-snow | 0.4.4_1 | DPorts | Support for simple parallel computing in R |
| science/R-cran-som | 0.3.5.2 | DPorts | Self-Organizing Map |
| science/R-cran-udunits2 | 0.13.2.1_1 | DPorts | Udunits-2 Bindings for R |
| science/acados | 0.4.3 | DPorts | Fast and embedded solvers for nonlinear optimal control |
| science/afni | 25.0.13 | DPorts | Advanced Functional Neuro Imaging |
| science/aircraft-datcom | 0.0.20120723_6 | DPorts | Modified USAF Aircraft Stability and Control Data Compendium |
| science/antioch | 0.4.0.156_14 | DPorts | C++ Chemical Kinetics, Thermodynaimics, and Transport Library |
| science/apbs | 1.5.102 | DPorts | Electrostatic and solvation properties for complex molecules |
| science/arbor | 0.8.1 | DPorts | Multi-compartment neural network simulation library |
| science/atompaw | 4.2.0.3_2 | DPorts | Tool for projector augmented wave functions for molecular simulations |
| science/avogadro2 | 1.100.0 | DPorts | Chemical editor and visualization application |
| science/avogadrolibs | 1.100.0 | DPorts | Avogadro2 libraries for chemical editor and visualization applications |
| science/axom | 0.6.1_1 | DPorts | Infrastructure for development of multi-physics applications and tools |
| science/bddsolve | 1.04_18 | DPorts | BDD-based satisfiability and reachability solver |
| science/berkeleygw | 4.0_2 | DPorts | Scientific program aimed at the ab initio virtual experimentation |
| science/bodr | 10 | DPorts | Chemistry data like element and isotope properties, atomic radii, etc |
| science/bout++ | 5.1.1_1 | DPorts | Plasma fluid finite-difference simulation code |
| science/buddy | 2.4_2 | DPorts | Binary Decision Diagram library |
| science/cdf | 3.9.1 | DPorts | Device independent view of the CDF data model |
| science/cdk | 2.7.1 | DPorts | Chemistry Development Kit |
| science/cdo | 2.2.2 | DPorts | Climate Data Operators |
| science/cgnslib | 4.4.0,1 | DPorts | CFD General Notation System library code |
| science/cgribex | 2.0.0_1 | DPorts | Lightweight GRIBEX in C with portable Fortran interface |
| science/checkmol | 0.5_17 | DPorts | Analyze molecules for the presence of functional groups |
| science/chemical-mime-data | 0.1.94_11 | DPorts | Collection of chemical MIME types for UNIX desktops |
| science/chemicalfun | 0.1.8_2 | DPorts | C++ library for working with chemical reactions and formulas |
| science/chemps2 | 1.8.12_6 | DPorts | Spin-adapted implementation of DMRG for ab initio quantum chemistry |
| science/chemtool | 1.6.14_5 | DPorts | Draw organic molecules easily and store them |
| science/chemtool-devel | 1.7.20050716_13 | DPorts | Drawing organic molecules easily and store them (developer version) |
| science/chimes-calculator | 1.0.2_1 | DPorts | Chebyshev Interaction Model for Efficient Simulation |
| science/clhep | 2.4.7.1 | DPorts | Object-oriented toolkit for particle physics applications by CERN |
| science/clipper | 2.1.20180802_3 | DPorts | Libraries for the organisation of crystallographic data |
| science/colt | 1.2.0_2 | DPorts | Java package for scalable scientific and technical computing |
| science/conduit | 0.9.3 | DPorts | Simplified data exchange for HPC simulations |
| science/coordgenlibs | 3.0.2 | DPorts | Schrodinger-developed 2D coordinate generation |
| science/cp2k-data | 2025.1 | DPorts | Data for cp2k quantum chemistry package |
| science/csvtk | 0.33.0 | DPorts | Cross-platform and ultrafast toolkit for CSV/TSV processing |
| science/dalton | 2020.0_6 | DPorts | Powerful molecular electronic structure program for quantum chemistry |
| science/dd_package | 2.2.0 | DPorts | MQT decision diagram package tailored to quantum computing |
| science/devisor | 2.1_3 | DPorts | Design and Visualization Software Resource for FeatFlow |
| science/dftd3 | 3.2.0.3_1 | DPorts | S. Grimme's dispersion correction for DFT, Hartree-Fock methods |
| science/dftd4 | 3.7.0_1 | DPorts | Atomic-charge dependent london dispersion correction computation |
| science/dimod | 0.12.20 | DPorts | DWave: Shared API for QUBO/Ising samplers |
| science/dirac | 22.0_3 | DPorts | Program for atomic & molecular relativistic all-electron calculations |
| science/dkh | 1.2_6 | DPorts | Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction |
| science/dlib-cpp | 19.24.8 | DPorts | Machine learning framework written in C++ |
| science/drawxtl | 5.5_1 | DPorts | Crystal structure visualization tool |
| science/dvc | 0.30.1_7 | DPorts | Git for data scientists: manage code and data together |
| science/dwave-preprocessing | 0.6.5 | DPorts | DWave: Preprocessing tools to aid in solving binary quadratic models |
| science/eccodes | 2.40.0 | DPorts | ECMWF API for WMO FM-92 GRIB and FM-94 BUFR messages |
| science/elk | 10.3.12_2 | DPorts | All-electron full-potential linearised augmented-planewave code |
| science/epte | 2.0.8_2 | DPorts | Electronic Periodic Table of the Elements |
| science/erd | 3.0.6_6 | DPorts | AcesIII electron repulsion integrals |
| science/ergo | 3.8.2_2 | DPorts | Quantum chemistry program for large-scale atomic calculations |
| science/erkale | g20220405_10 | DPorts | Quantum chemistry program to solve the electronic structure of atoms |
| science/erkale-pseudopotentials | g20220405 | DPorts | Pseudopotentials for Erkale, the quantum chemistry program |
| science/fastcap | 2.0.w.011109_1 | DPorts | Three-dimensional capacitance extraction program |
| science/fasthenry | 3.0.w.021113_1 | DPorts | Multipole-accelerated inductance analysis program |
| science/fastjet | 3.4.3 | DPorts | Package for jet finding in pp and e+e- collisions |
| science/feff10 | 10.0.0.16_1 | DPorts | Ab initio scattering calculations of X-ray absorption fine structure |
| science/frontistr | 5.2_6 | DPorts | Large-Scale Parallel FEM Program for Nonlinear Structural Analysis |
| science/fsom | g20151117_2 | DPorts | Tiny C library for managing SOM (Self-Organizing Maps) neural networks |
| science/gabedit | 2.5.1.300720_2 | DPorts | Graphical user interface for several chemistry software packages |
| science/gbtolib | 3.0.3 | DPorts | High-performance library for evaluation of molecular integrals |
| science/gchemutils | 0.14.17_4 | DPorts | C++ classes and Gtk3 widgets related to chemistry |
| science/gcp | 2.3.2 | DPorts | Geometrical Counter-Poise Correction |
| science/gdma | 2.2.6_6 | DPorts | Anthony Stone's Gaussian Distributed Multipole Analysis |
| science/gemmi | 0.7.1 | DPorts | Macromolecular crystallography library and utilities |
| science/getdp | 3.6.0_1 | DPorts | Rather general finite element solver using mixed finite elements |
| science/ghmm | 0.9.r3_2 | DPorts | General Hidden Markov Model Library in C |
| science/gpaw-setups | 0.9.20000 | DPorts | Setups (data files) for py-gpaw, the DFT quantum chemistry software |
| science/gramps | 6.0.1 | DPorts | GTK3-based genealogy program |
| science/gsmc | 1.1_7 | DPorts | Smith chart program for impedance matching |
| science/h5utils | 1.13.2_4 | DPorts | Set of utilities for visualization and conversion of HDF5 format |
| science/h5z-zfp | 1.1.1 | DPorts | Registered ZFP compression plugin for HDF5 |
| science/hdf | 4.2.15_4,1 | DPorts | Hierarchical Data Format library (from NCSA) |
| science/hdf5 | 1.12.2_2,1 | DPorts | Hierarchical Data Format library (from NCSA) (latest) |
| science/hdf5-110 | 1.10.11 | DPorts | Hierarchical Data Format library (from NCSA) 1.10.x |
| science/hdf5-18 | 1.8.23 | DPorts | Hierarchical Data Format library (from NCSA) 1.8 |
| science/healpix | 3.50_5 | DPorts | Software for pixelization, visualization, etc of data on the sphere |
| science/helfem | g20210912_10 | DPorts | Finite element methods for electronic structure calculations |
| science/hepmc3 | 3.3.0 | DPorts | Event record for High Energy Physics Monte Carlo generators/simulation |
| science/highfive | 2.10.1 | DPorts | Header-only C++ HDF5 interface |
| science/hypre | 2.31.0_1 | DPorts | Scalable Linear Solvers and Multigrid Methods |
| science/iboview | 20150427_28 | DPorts | Program for analyzing molecular electronic structure |
| science/isaac-cfd | 4.2_17 | DPorts | Integrated Solution Algorithm for Arbitrary Configuration |
| science/jdftx | 1.7.0_6 | DPorts | Software for joint density functional theory in chemistry |
| science/jmol | 16.1.25_1 | DPorts | Java 3D viewer for chemical structures |
| science/jstrack | 3.4.0 | DPorts | Freeware hurricane tracking program |
| science/kalzium | 25.04.2 | DPorts | Periodic table of elements for KDE |
| science/kim-api | 2.3.0_1 | DPorts | Framework for reliable, reproducible, portable molecular simulations |
| science/kplib | 1.1.1 | DPorts | Library for finding optimal Generalized Monkhorst-Pack k-points grid |
| science/kst2 | 2.1 | DPorts | Data viewing and plotting tool |
| science/lamprop | 2020.12.28 | DPorts | Calculates properties of fiber reinforced composites |
| science/latte | 1.2.2_6 | DPorts | Quantum chemistry: Density functional tight binding molecular dynamics |
| science/libaec | 1.1.3 | DPorts | Adaptive entropy coding library |
| science/libccp4 | 6.5.1_4 | DPorts | Protein X-ray crystallography toolkit |
| science/libcint | 6.1.2_2 | DPorts | General GTO integrals for quantum chemistry |
| science/libctl | 4.5.0_5 | DPorts | Control Language Library |
| science/libecpint | 1.0.7 | DPorts | Library for the evaluation of integrals over effective core potentials |
| science/libefp | 1.5.0 | DPorts | Effective fragment potential method in quantum chemistry |
| science/libgetar | 1.1.7 | DPorts | Library to read and write GEneric Trajectory ARchives |
| science/libghemical | 3.0.0_21 | DPorts | Support libraries of science/ghemical port |
| science/libgridxc | 1.1.0_2 | DPorts | Library to compute the exchange and correlation energy and potentials |
| science/libint | 1.2.1.15 | DPorts | Evaluate the integrals in modern atomic and molecular theory |
| science/libkml | 1.3.0_29 | DPorts | Reference implementation of OGC KML 2.2 |
| science/liblinear | 2.48 | DPorts | Library for Large Linear Classification |
| science/libmbd | 0.12.5_4 | DPorts | Many-body dispersion library |
| science/libmsym | 0.2.3 | DPorts | Molecular point group symmetry library |
| science/libnegf | 1.1.3_3 | DPorts | Non Equilibrium Green's Functions library |
| science/liboglappth | 1.0.0_5 | DPorts | Support libraries of science/ghemical port |
| science/libpsml | 2.1.0 | DPorts | Library to handle pseudopotentials in PSML format |
| science/libquantum | 1.1.1_1 | DPorts | C library for quantum computing and quantum simulation |
| science/libssm | 1.4.0_2 | DPorts | C++ toolkit for superposition of macromolecules |
| science/libsvm | 3.24 | DPorts | Library for Support Vector Machines |
| science/libsvm-python | 3.24_1 | DPorts | Library for Support Vector Machines |
| science/libvdwxc | 0.4.6.20190510 | DPorts | Van der Waals density functional (DFT) library |
| science/libxc | 6.2.2 | DPorts | Library of exchange-correlation functionals for DFT |
| science/luscus | 0.8.6_4 | DPorts | Molecular editor and viewer |
| science/m-aneos | 1.0.1_1 | DPorts | M-ANEOS: program for construction of thermodynamic equations of state |
| science/madness | 0.10.1.20180823_17 | DPorts | Multiresolution adaptive numeric environment for scientific simulation |
| science/maeparser | 1.3.2 | DPorts | Parser for Schrodinger Maestro files |
| science/mbdyn | 1.7.3_18 | DPorts | MultiBody Dynamics analysis system |
| science/mcpl | 1.6.2 | DPorts | Monte Carlo Particle Lists library |
| science/mcstas | 2.5 | DPorts | Monte Carlo neutron ray tracing package |
| science/mcstas-comps | 2.5_3 | DPorts | Component Library for the McStas neutron ray tracing package |
| science/mctc-lib | 0.3.2 | DPorts | Computation tool chain library to work with molecular structure data |
| science/mcxtrace | 1.2_1 | DPorts | Monte Carlo X-ray tracing package |
| science/mcxtrace-comps | 1.2 | DPorts | Component Library for the McXtrace X-ray tracing package |
| science/mdynamix | 5.3.0 | DPorts | General purpose molecular dynamics code |
| science/medit | 2012.02.05_5 | DPorts | Interactive meshes visualization |
| science/metaphysicl | 1.3.3_1 | DPorts | Metaprogramming, operator-overloaded classes for numerical simulations |
| science/minc2 | 2.2.00_15,1 | DPorts | Medical Imaging NetCDF |
| science/mmdb2 | 2.0.20 | DPorts | C++ toolkit for working with macromolecular coordinate files |
| science/mmtf-cpp | 1.1.0_1 | DPorts | C++ MMTF format API, decoder and encoder, for molecular structures |
| science/mol2ps | 0.4c_1 | DPorts | Read molecular structure files and generate Postscript output |
| science/molgif | g20180108_24 | DPorts | Tool to create GIF animations of molecules |
| science/molscript | 2.1.2_4 | DPorts | Display 3D molecules in schematic and detailed representations |
| science/molsketch | 0.7.3 | DPorts | 2D molecule editor |
| science/mopac | 23.1.2,1 | DPorts | Semi-empirical (MNDO, etc.) molecular orbital calculation |
| science/mp2d | f20190610 | DPorts | Program for calculating the MP2D dispersion energy |
| science/mpqc | 2.3.1_52 | DPorts | Massively Parallel Quantum Chemistry Program |
| science/mrchem | 1.1.4 | DPorts | MultiResolution Chemistry |
| science/mrcpp | 1.5.0_1 | DPorts | MultiResolution Computation Program Package |
| science/mstore | 0.3.0 | DPorts | Molecular structure store for testing |
| science/multicharge | 0.3.0_1 | DPorts | Electronegativity equilibration model for atomic partial charges |
| science/mutationpp | 1.0.6.d2 | DPorts | MUlticomponent Thermodynamic And Transport library for IONized gases |
| science/ncrystal | 3.8.0 | DPorts | Library for thermal neutron transport in crystals and other materials |
| science/nest | 3.8_3 | DPorts | Simulator for spiking neural network models |
| science/netcdf | 4.9.3 | DPorts | C library for machine-independent, array-oriented data access |
| science/netcdf-cxx | 4.3.1_3 | DPorts | C++ library for machine-independent, array-oriented data access |
| science/netcdf-fortran | 4.6.1 | DPorts | Fortran library for machine-independent, array-oriented data access |
| science/nifticlib | 2.0.0_2 | DPorts | Neuroimaging Informatics Technology Initiative data format |
| science/nlcglib | 1.1.0_3 | DPorts | Nonlinear CG methods for wave-function optimization in DFT |
| science/nwchem | 7.2.3_2 | DPorts | High-performance computational chemistry software |
| science/nwchem-data | 7.2.3 | DPorts | Data for NWChem, the computational chemistry software |
| science/openbabel | 3.1.1.178_3 | DPorts | Chemical toolbox designed to speak the many languages of chemical data |
| science/openems | 0.0.36_4 | DPorts | Electromagnetic field solver using the EC-FDTD method |
| science/openkim-models | 2021.08.11_2 | DPorts | Open Knowledgebase of Interatomic Models |
| science/openmc | 0.15.0 | DPorts | Monte Carlo neutron and photon transport simulation code |
| science/openmx | 3.9.9 | DPorts | Nanoscale material simulations using density functional theories (DFT) |
| science/opensim-core | 4.1_9 | DPorts | Software for modeling of musculoskeletal structures |
| science/opensph | 0.4.1_7 | DPorts | Library and graphical tools for running SPH and N-body simulations |
| science/opsin | 3.0.20190223_1 | DPorts | Open Parser for Systematic IUPAC Nomenclature of chemical names |
| science/p5-Chemistry-3DBuilder | 0.10_1 | DPorts | Generate 3D coordinates from a connection table |
| science/p5-Chemistry-Bond-Find | 0.23_1 | DPorts | Detect bonds in a molecule and assign formal bond orders |
| science/p5-Chemistry-Canonicalize | 0.11_1 | DPorts | Number the atoms in a molecule in a unique way |
| science/p5-Chemistry-Elements | 1.079 | DPorts | Perl extension for working with Chemical Elements |
| science/p5-Chemistry-File-MDLMol | 0.21_1 | DPorts | MDL molfile reader/write |
| science/p5-Chemistry-File-Mopac | 0.15_1 | DPorts | MOPAC 6 input file reader/writer |
| science/p5-Chemistry-File-PDB | 0.23_1 | DPorts | Perl module to read and write PDB files |
| science/p5-Chemistry-File-SLN | 0.11_1 | DPorts | SLN linear notation parser/writer |
| science/p5-Chemistry-File-SMARTS | 0.22_1 | DPorts | SMARTS chemical substructure pattern linear notation parser |
| science/p5-Chemistry-File-SMILES | 0.47_2 | DPorts | SMILES linear notation parser/writer |
| science/p5-Chemistry-File-VRML | 0.10_1 | DPorts | Generate VRML models for molecules |
| science/p5-Chemistry-File-XYZ | 0.11_1 | DPorts | XYZ molecule format reader/writer |
| science/p5-Chemistry-FormulaPattern | 0.10_1 | DPorts | Match molecule by formula |
| science/p5-Chemistry-InternalCoords | 0.18_1 | DPorts | Represent the position of an atom using internal coordinates |
| science/p5-Chemistry-Isotope | 0.11_1 | DPorts | Table of the isotopes exact mass data |
| science/p5-Chemistry-MacroMol | 0.06_1 | DPorts | Perl toolkit to describe macromolecules |
| science/p5-Chemistry-MidasPattern | 0.11_1 | DPorts | Select atoms in macromolecules |
| science/p5-Chemistry-Mok | 0.25_1 | DPorts | Molecular awk interpreter |
| science/p5-Chemistry-Mol | 0.39 | DPorts | Perl toolkit to describe molecules |
| science/p5-Chemistry-OpenSMILES | 0.11.6 | DPorts | OpenSMILES format reader and writer |
| science/p5-Chemistry-Pattern | 0.27_1 | DPorts | Chemical substructure pattern matching |
| science/p5-Chemistry-Reaction | 0.02_1 | DPorts | Represent a ring as a substructure of a molecule |
| science/p5-Chemistry-Ring | 0.20_1 | DPorts | Represent a ring as a substructure of a molecule |
| science/p5-Geo-BUFR | 1.39 | DPorts | Perl extension for handling of WMO BUFR files |
| science/p5-Geo-Calc | 0.12 | DPorts | Simple geo calculator for points and distances |
| science/p5-Geo-Coordinates-Converter | 0.13_1 | DPorts | Simple converter of geo coordinates |
| science/p5-Geo-Coordinates-Converter-iArea | 0.14_1 | DPorts | Some utility functions around iArea |
| science/p5-Geo-Coordinates-Transform | 0.10 | DPorts | Transform Latitude/Longitude between various different coordinate functions |
| science/p5-Geo-WebService-Elevation-USGS | 0.201 | DPorts | Perl extension for elevation queries against USGS web services |
| science/p5-Mcstas-Tools | 2.5_3 | DPorts | Perl based tools for the McStas neutron ray tracing package |
| science/p5-PerlMol | 0.3500_2 | DPorts | Perl modules for molecular chemistry |
| science/p5-Physics-Unit | 0.60 | DPorts | Manipulate Physics units and dimensions |
| science/packmol | 21.0.1 | DPorts | Creates Initial Configurations for Molecular Dynamics Simulations |
| science/pagmo2 | 2.19.1_5 | DPorts | Platform to perform parallel computations of optimization tasks |
| science/pastix | 6.3.0 | DPorts | PaStiX: a sparse direct solver |
| science/pcmsolver | 1.3.0_1 | DPorts | API for the Polarizable Continuum Model |
| science/phonopy | 2.38.0 | DPorts | Package for phonon calculations at harmonic and quasi-harmonic levels |
| science/plumed | 2.7.2 | DPorts | PLUgin for MolEcular Dynamics |
| science/pnetcdf | 1.14.0 | DPorts | Library providing high-performance I/O |
| science/polytope | 0.7.3 | DPorts | Library for generating Voronoi and Voronoi-like tessellations |
| science/pulseview | 0.4.2_6 | DPorts | GUI client that supports various hardware logic analyzers |
| science/py-DendroPy | 5.0.1_1 | DPorts | Phylogenetic computing library |
| science/py-HepMC3 | 3.3.0 | DPorts | Event record for High Energy Physics Monte Carlo generators/simulation |
| science/py-HofstadterTools | 1.0.4 | DPorts | Package for analyzing the Hofstadter model of particles in the lattice |
| science/py-OpenFermion | 1.6.1_1 | DPorts | Electronic structure package for quantum computers |
| science/py-OpenFermion-Dirac | g20220812_2 | DPorts | Interface between OpenFermion and Dirac |
| science/py-OpenFermion-PySCF | 0.5_1 | DPorts | Interface between OpenFermion and PySCF |
| science/py-OpenMC | 0.15.0_1 | DPorts | Monte Carlo neutron and photon transport simulation code (Python) |
| science/py-PubChemPy | 1.0.4_1 | DPorts | Simple Python wrapper around the PubChem PUG REST API |
| science/py-SimpleSpectral | 1.0.0_4 | DPorts | Simplified scipy.signal.spectral module with only pyFFTW support |
| science/py-abipy | 0.9.8_2 | DPorts | Library for analyzing the results produced by ABINIT |
| science/py-access | 1.1.9_3 | DPorts | Calculate spatial accessibility metrics |
| science/py-arbor | 0.8.1 | DPorts | Multi-compartment neural network simulation library |
| science/py-arch | 6.3.0 | DPorts | Autoregressive Conditional Heteroskedasticity (ARCH) models |
| science/py-asap3 | 3.12.8_3 | DPorts | Classical potentials for MD with ASE |
| science/py-asdf | 4.1.0 | DPorts | Python tools to handle ASDF files |
| science/py-asdf-standard | 1.1.1 | DPorts | ASDF Standard schemas |
| science/py-asdf-transform-schemas | 0.5.0 | DPorts | ASDF schemas for transforms |
| science/py-ase | 3.23.0_1 | DPorts | Atomic simulation environment |
| science/py-atomium | 1.0.11_3 | DPorts | Molecular modeller and file parser |
| science/py-avogadrolibs | 1.100.0 | DPorts | Python bindings for Avogadro2 chemistry libraries |
| science/py-cdo | 1.6.0 | DPorts | Python binding to CDO (Climate Data Operators) |
| science/py-cfgrib | 0.9.15.0 | DPorts | Map GRIB files to the NetCDF Common Data Model following the CF Convention using ecCodes |
| science/py-chainer | 7.8.1_12 | DPorts | Deep learning framework |
| science/py-chainer-chemistry | 0.7.1_2 | DPorts | Library for deep learning in biology and chemistry |
| science/py-chempy | 0.9.0_2 | DPorts | Package useful for solving problems in chemistry |
| science/py-cirq-aqt | 1.4.1_1 | DPorts | Cirq module to run on AQT quantum computers |
| science/py-cirq-core | 1.4.1_1 | DPorts | Framework for Noisy Intermediate Scale Quantum (NISQ) circuits |
| science/py-cirq-google | 1.4.1_1 | DPorts | Google Cirq adapter for IQM's quantum architectures |
| science/py-cirq-ionq | 1.4.1_1 | DPorts | Cirq module to run on IonQ quantum computers |
| science/py-cirq-pasqal | 1.4.1_1 | DPorts | Cirq module to run on pasqal quantum computers |
| science/py-cirq-rigetti | 1.3.0_1 | DPorts | Cirq module to run on Rigetti quantum computers |
| science/py-coards | 1.0.5_4 | DPorts | COARDS compliant time parser |
| science/py-dftd4 | 3.7.0 | DPorts | Python API of the DFT-D4 project |
| science/py-dimod | 0.12.20 | DPorts | DWave: Shared API for QUBO/Ising samplers |
| science/py-dlib | 19.24.6_2 | DPorts | Machine learning framework written in C++ (python bindings) |
| science/py-dwave-cloud-client | 0.12.0_1 | DPorts | DWave: REST interface to communicate with D-Wave Solver API servers |
| science/py-dwave-greedy | 0.3.0_2 | DPorts | DWave: Greedy binary quadratic model solvers |
| science/py-dwave-hybrid | 0.6.11 | DPorts | DWave: Hybrid asynchronous decomposition sampler prototype framework |
| science/py-dwave-inspector | 0.4.4 | DPorts | DWave: Problem Inspector |
| science/py-dwave-neal | 0.6.0_2 | DPorts | DWave: Simulated annealing sampler for general Ising model graphs |
| science/py-dwave-networkx | 0.8.15_1 | DPorts | DWave: Extension of the NetworkX Python package for graphs |
| science/py-dwave-ocean-sdk | 6.9.0 | DPorts | DWave: Meta-package for D-Wave's Ocean tools |
| science/py-dwave-preprocessing | 0.6.6_1 | DPorts | DWave: Preprocessing tools to aid in solving binary quadratic models |
| science/py-dwave-samplers | 1.3.0_1 | DPorts | DWave: Classical algorithms for solving binary quadratic models |
| science/py-dwave-system | 1.23.0 | DPorts | DWave: API for incorporating the D-Wave system as a sampler |
| science/py-dwave-tabu | 0.5.0_2 | DPorts | DWave: Tabu solver for QUBO/Ising problems |
| science/py-dwavebinarycsp | 0.3.0_1 | DPorts | DWave: Map CSP with binary variables to binary quadratic models |
| science/py-earthpy | 0.9.4_4 | DPorts | Plot and manipulate spatial data in Python |
| science/py-eccodes | 2.40.0 | DPorts | Python interface to the ecCodes BUFR and GRIB de/encoder |
| science/py-emmet-core | 0.64.0_1 | DPorts | Materials API Toolkit for the Materials Project |
| science/py-esda | 2.5.1 | DPorts | Exploratory Spatial Data Analysis |
| science/py-fresnel | 0.13.4.4_8 | DPorts | Publication quality path tracing in real time |
| science/py-gemmi | 0.7.1 | DPorts | Macromolecular crystallography library and utilities |
| science/py-geolinks | 0.2.3_1 | DPorts | Utilities to deal with geospatial links |
| science/py-geomet | 1.1.0 | DPorts | GeoJSON <-> WKT/WKB conversion utilities |
| science/py-geometer | 0.3.5_2 | DPorts | Python geometry package based on projective geometry and numpy |
| science/py-geometric | 1.1_1 | DPorts | Geometry optimization for quantum chemistry |
| science/py-gpaw | 24.6.0_3 | DPorts | DFT and beyond within the projector-augmented wave method in chemistry |
| science/py-gsd | 3.4.1_1 | DPorts | GSD (General Simulation Data) file format for Python |
| science/py-h5json | 1.1.3_2 | DPorts | Tools and library for representing HDF5 in JSON |
| science/py-h5netcdf | 1.6.1 | DPorts | netCDF4 via h5py |
| science/py-h5py | 3.13.0 | DPorts | General-purpose Python interface to the HDF5 library |
| science/py-h5pyd | 0.18.0_1 | DPorts | h5py compatible client lib for HDF REST API |
| science/py-hoomd-blue | 5.1.0 | DPorts | Molecular dynamics and Monte Carlo soft matter simulation |
| science/py-inequality | 1.1.1 | DPorts | Spatial inequality analysis for PySAL |
| science/py-ipygany | 0.5.0_3 | DPorts | 3-D scientific visualization in Jupyter Notebooks |
| science/py-jupyter_jsmol | 2022.1.0_2 | DPorts | JSmol viewer widget for Jupyter Notebooks and JupyterLab |
| science/py-kim-query | 3.0.0_1 | DPorts | Helper routines for querying the OpenKIM repository |
| science/py-kimpy | 2.1.1_1 | DPorts | Python interface to the KIM-API |
| science/py-kinematics | 0.1.7_2 | DPorts | Python module to do attitude kinematics |
| science/py-kliff | 0.4.3_1 | DPorts | KIM-based Learning-Integrated Fitting Framework |
| science/py-kpLib | 1.1.1_1 | DPorts | Library for finding optimal Generalized Monkhorst-Pack k-points grid |
| science/py-liac-arff | 2.5.0_1 | DPorts | Read and write ARFF files in Python |
| science/py-libgetar | 1.1.7_1 | DPorts | Library to read and write GEneric Trajectory ARchives |
| science/py-libpysal | 4.7.0_2 | DPorts | Core components of PySAL A library of spatial analysis functions |
| science/py-lifelines | 0.19.5_3 | DPorts | Survival analysis in Python |
| science/py-mdp | 3.5_5 | DPorts | Modular toolkit for Data Processing |
| science/py-mercantile | 1.2.1_1 | DPorts | Web mercator XYZ tile utilities |
| science/py-meshio | 5.3.5 | DPorts | I/O for many mesh formats |
| science/py-mmtf-python | 1.1.3_2 | DPorts | MMTF (Macromolecular Transmission Format) Python API |
| science/py-molmod | 1.4.8_2 | DPorts | Collection of molecular modelling tools for python |
| science/py-mp-api | 0.34.0 | DPorts | API for server for the Materials Project |
| science/py-mpcontribs-client | 5.4.2 | DPorts | Client library for MPContribs API on contribs-api.materialsproject.org |
| science/py-mplhep | 0.3.59 | DPorts | Matplotlib styles for HEP |
| science/py-mplhep-data | 0.0.4 | DPorts | Font (Data) sub-package for mplhep |
| science/py-mrchem | 1.1.4 | DPorts | MultiResolution Chemistry |
| science/py-ncrystal | 3.8.0 | DPorts | Library for thermal neutron transport in crystals and other materials |
| science/py-netCDF4 | 1.7.2 | DPorts | Python Interface to the NetCDF Library (versions 3 and 4) |
| science/py-netcdf-flattener | 1.2.0_2 | DPorts | Flatten NetCDF files while preserving references |
| science/py-nglview | 3.1.2 | DPorts | IPython widget to view molecular structures and trajectories |
| science/py-nibabel | 5.3.2 | DPorts | Read/write some common neuroimaging file formats |
| science/py-obspy | 1.4.1_1 | DPorts | Python framework for seismological observatories |
| science/py-openEMS | 0.0.36_1 | DPorts | Electromagnetic field solver using the EC-FDTD method |
| science/py-openbabel | 3.1.1.1_1 | DPorts | Chemical toolbox designed to speak the many languages of chemical data |
| science/py-openpiv | 0.23.8_3 | DPorts | Python module for Particle Image Velocimetry |
| science/py-optking | 0.3.0_1 | DPorts | Python version of the PSI4 geometry optimization program by R.A. King |
| science/py-paida | 3.2.1.2.10_2 | DPorts | Pure Python scientific analysis package |
| science/py-paramz | 0.9.6_1 | DPorts | Parameterization framework |
| science/py-penaltymodel | 1.1.0_1 | DPorts | DWave: Utilities and interfaces for using penalty models |
| science/py-periodictable | 1.7.1_1 | DPorts | Extensible periodic table of the elements pre-populated with data |
| science/py-phono3py | 3.9.0_1 | DPorts | Software to calculate phonon-phonon interaction and related properties |
| science/py-phonopy | 2.38.0 | DPorts | Package for phonon calculations at harmonic and quasi-harmonic levels |
| science/py-pnetcdf | 1.0.0 | DPorts | Object-oriented python interface to the PnetCDF library |
| science/py-pupynere | 1.0.15_10 | DPorts | NetCDF file reader and writer |
| science/py-py3Dmol | 2.4.2_1 | DPorts | IPython interface for embedding 3Dmol.js views |
| science/py-pyaixi | 1.0.4_2 | DPorts | Implementation of the MC-AIXI-CTW AI algorithm |
| science/py-pyberny | 0.6.3_2 | DPorts | Optimizer of molecular geometries with respect to the total energy |
| science/py-pycsw | 2.6.2 | DPorts | OGC CSW server implementation |
| science/py-pydicom | 3.0.1 | DPorts | Read, modify, and write DICOM files with Python code |
| science/py-pygeodesy | 23.4.23_1 | DPorts | Pure Python geodesy tools |
| science/py-pygeometa | 0.15.3_3 | DPorts | Generate metadata for geospatial datasets |
| science/py-pygmo2 | 2.19.7_5 | DPorts | Python platform to perform parallel computations of optimisation tasks |
| science/py-pyked | 0.4.1.16_3 | DPorts | Package for manipulating Chemical Kinetics Experimental Data files |
| science/py-pymatgen | 2022.7.19_1 | DPorts | Python Materials Genomics is a robust materials analysis code |
| science/py-pymatgen-analysis-alloys | 0.0.6 | DPorts | PyMatgen add-on library with classes useful for describing alloys |
| science/py-pymbd | 0.12.5_2 | DPorts | Many-body dispersion library |
| science/py-pymol | 3.0.0_1 | DPorts | OpenGL-based molecular visualization system |
| science/py-pyosf | 1.0.5_1 | DPorts | Python library for synching with OpenScienceFramework projects |
| science/py-pyqubo | 1.4.0_2 | DPorts | DWave: Python DSL for constructing QUBOs from mathematical expressions |
| science/py-pyscf | 2.6.2_1 | DPorts | Python module for quantum chemistry |
| science/py-pyteomics | 4.7.5 | DPorts | Python modules for proteomics data analysis |
| science/py-qcelemental | 0.28.0 | DPorts | Essentials for quantum chemistry |
| science/py-qcengine | 0.30.0_2 | DPorts | Quantum chemistry program executor and IO standardizer (QCSchema) |
| science/py-qspin | 2.3.3_1 | DPorts | Learn quantum spin and entanglement |
| science/py-quantities | 0.16.1_1 | DPorts | Support for physical quantities with units, based on numpy |
| science/py-rmf | 1.7.0 | DPorts | Library to support reading and writing of Rich Molecular Format files |
| science/py-rmsd | 1.6.3_1 | DPorts | Calculate root-mean-square deviation (RMSD) between coordinate sets |
| science/py-ruffus | 2.8.4_1 | DPorts | Lightweight library for computational pipelines |
| science/py-sarpy | 1.3.60 | DPorts | Read, write and process complex SAR and other associated data |
| science/py-scikit-fuzzy | 0.5.0 | DPorts | Fuzzy logic toolkit for SciPy |
| science/py-scikit-learn | 1.4.0_1 | DPorts | Machine learning algorithms for python |
| science/py-scikit-optimize | 0.10.2 | DPorts | Sequential model-based optimization toolbox |
| science/py-scikit-sparse | 0.4.15_3 | DPorts | Sparse matrix package |
| science/py-scimath | 5.0.0_2 | DPorts | Scientific and Mathematical calculations |
| science/py-scipy | 1.11.1_4,1 | DPorts | Scientific tools for Python |
| science/py-scoria | 1.0.5_2 | DPorts | Lightweight molecule manipulation codebase |
| science/py-sdf | 0.1_3 | DPorts | Simple SDF mesh generation in Python |
| science/py-seekpath | 2.1.0_1 | DPorts | Obtain, visualize k-vector coefficients in crystal Brillouin zone |
| science/py-segyio | 1.9.13_1 | DPorts | Python binding for segyio, the seismic data library |
| science/py-signac | 2.2.0 | DPorts | Manage large and heterogeneous data spaces on the file system |
| science/py-sklearn-pandas | 2.2.0_2 | DPorts | Pandas integration with sklearn |
| science/py-skrebate | 0.62_2 | DPorts | Relief-based feature selection algorithms |
| science/py-spaghetti | 1.7.4 | DPorts | Analysis of Network-constrained Spatial Data |
| science/py-spglib | 2.5.0_1 | DPorts | Library for finding and handling crystal symmetries (python binding) |
| science/py-symfc | 1.3.1 | DPorts | Generate symmetrized force constants |
| science/py-tobler | 0.12.1 | DPorts | Areal Interpolation |
| science/py-trainstation | 1.1_1 | DPorts | Convenient training of linear models |
| science/py-tweedledum | 1.1.1.20221123_1 | DPorts | Library for analysis, compilation, synthesis of quantum circuits |
| science/py-vedo | 2024.5.3 | DPorts | Python module for scientific analysis and visualization of 3D objects |
| science/py-veusz | 3.6.2_5 | DPorts | Scientific plotting package |
| science/pybrain | 0.3.3_6 | DPorts | Swiss Army knife for neural networking |
| science/pynn | 0.12.3_1 | DPorts | Simulator-independent language for building neuronal network models |
| science/q | 6.0_1 | DPorts | Molecular Dynamics (MD) tools |
| science/qbox | 1.78.2_3 | DPorts | First-principles molecular dynamics code |
| science/qcl | 0.6.7 | DPorts | Quantum computer simulator |
| science/qiskit-aer | 0.10.4_5 | DPorts | Quantum circuits simulator submodule of the Qiskit framework |
| science/quantum-espresso | 7.4_1 | DPorts | Package for research in electronic structure, simulation, optimization |
| science/quantum-espresso-pseudopotentials | g20220916 | DPorts | Pseudopotentials for use with Quantum Espresso |
| science/quantum-jet | 0.2.2.2_4 | DPorts | Cross-platform header-only library for simulating quantum circuits |
| science/qwalk | 1.0.1.300_6 | DPorts | Quantum Monte Carlo package for quantum chemistry computations |
| science/rmf | 1.7.0_1 | DPorts | Library to support reading and writing of Rich Molecular Format files |
| science/rubygem-ai4r | 1.13 | DPorts | Various Ruby artificial intelligence algorithm implementations |
| science/rubygem-cdo | 1.5.1_1 | DPorts | Ruby binding to CDO (Climate Data Operators) |
| science/rubygem-rgeo | 3.0.1 | DPorts | Geospatial data library for Ruby (RGeo) |
| science/rubygem-rgeo-geojson | 2.2.0 | DPorts | GeoJSON formatting and parsing in Ruby |
| science/rubygem-rgeo-proj4 | 4.0.0_5 | DPorts | Proj.4 extension for RGeo |
| science/rubygem-rgeo-shapefile | 3.1.0_1 | DPorts | RGeo module for reading the ESRI shapefile format |
| science/rubygem-ruby-netcdf | 0.8.0_1 | DPorts | Ruby interface to the NetCDF scientific IO library |
| science/scidavis | 2.9.2_2 | DPorts | Scientific data analysis and visualization |
| science/sciplot | 0.3.1 | DPorts | Modern C++ scientific plotting library powered by gnuplot |
| science/segyio | 1.9.13 | DPorts | Library to interact with SEG-Y & Seismic Unix formatted seismic data |
| science/shelxle | 1.0.1703 | DPorts | Graphical user interface for small-molecule structure refinement |
| science/siconos | 4.5.0_2 | DPorts | Simulation framework for nonsmooth dynamical systems |
| science/siesta | 4.1.5_3 | DPorts | Program to perform efficient electronic structure calculations |
| science/sigrok-cli | 0.7.2_2 | DPorts | Framework for hardware logic analyzers, CLI client |
| science/sigrok-firmware | 20150123 | DPorts | Sigrok firmware |
| science/sigrok-firmware-fx2lafw | 0.1.7 | DPorts | Cypress FX2 firmware for hardware logic analyzers |
| science/sigrok-firmware-utils | 20140418_3 | DPorts | Sigrok firmware extraction utilities |
| science/silo | 4.11.68_1 | DPorts | Mesh and field I/O library and scientific database |
| science/simbody | 3.7_8 | DPorts | Multibody dynamics library for (bio)mechanical systems simulation |
| science/simint | 0.8 | DPorts | Obara-Saika (OS) method of calculating electron repulsion integrals |
| science/simlib | 3.06 | DPorts | SIMulation LIBrary for C++ programming language |
| science/simple-dftd3 | 1.1.1_2 | DPorts | Reimplementation of the DFT-D3 program |
| science/simsmith | 9.9_1 | DPorts | Java-based Smith Chart program |
| science/smoldyn | 2.74 | DPorts | Biochemical simulator for molecular diffusion, surface interactions |
| science/sparta | 2022.07.18_2 | DPorts | Gas simulator: SPARTA DSMC software package |
| science/spglib | 2.5.0 | DPorts | C library for finding and handling crystal symmetries |
| science/step | 25.04.2 | DPorts | KDE interactive physics simulator |
| science/sz3 | 3.2.1 | DPorts | Modular Error-bounded Lossy Compression Framework for Scientific Datasets |
| science/teem | 1.11.0 | DPorts | Libraries for representing, processing and visualizing scientific data |
| science/tfel | 4.0.0_6 | DPorts | Code generation tool dedicated to material knowledge |
| science/tfel-edf | 3.2.1.1_7 | DPorts | Code generation tool dedicated to material knowledge |
| science/thermofun | 0.5.0 | DPorts | Code for calculating thermodynamic properties of materials |
| science/tinker | 8.11.3_1 | DPorts | General purpose molecular modelling package |
| science/udunits | 2.2.28 | DPorts | Library for manipulating units of physical quantities |
| science/v_sim | 3.8.0_13 | DPorts | Visualization of atomic structures |
| science/voro++ | 0.4.6_2 | DPorts | Three-dimensional computations of the Voronoi tessellation |
| science/wannier90 | 3.1.0_5 | DPorts | Maximally-localized Wannier functions (MLWFs) and Wannier90 |
| science/wwplot | 0.0.9_2 | DPorts | Plotting tool for experimental physics classes |
| science/wxmacmolplt | 7.7.43_5 | DPorts | Graphical user interface principally for the GAMESS program |
| science/xcfun | 2.1.1.1 | DPorts | Exchange-correlation functionals with arbitrary-order derivatives |
| science/xcrysden | 1.6.2_4 | DPorts | Crystalline and molecular structure visualisation program |
| science/xdrawchem | 1.11.0.2_2 | DPorts | Two-dimensional molecule drawing program |
| science/xtb | 6.4.1 | DPorts | Semiempirical Extended Tight-Binding Program Package |
| science/yoda | 2.0.2 | DPorts | Particle physics package with classes for data analysis, histogramming |
| science/zx | g20221101 | DPorts | MQT ZX: A library for working with ZX-diagrams |
| x11-toolkits/py-fonticon-fontawesome6 | 6.4.0 | DPorts | FontAwesome 6 extension for superqt font icons |