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Scientific computing and research tools

511 packages — Page 2

This page covers maeparser–py311-dwavebinarycsp. Search all 511 packages →

Browse the complete collection of 511 FreeBSD science packages available in the ports tree. Every package can be installed with a single pkg install command. The most popular packages in this category include py311-scipy, hdf5, py311-scikit-learn. We have 2 guides covering science software on FreeBSD.

Most Popular

py311-scipy1.11.1_4,1Scientific tools for Python183 rdepshdf51.12.2_2,1Hierarchical Data Format library (from NCSA) (latest)87 rdepspy311-scikit-learn1.7.2Machine learning algorithms for python47 rdepslibaec1.1.4Adaptive entropy coding library41 rdepsnetcdf4.9.3C library for machine-independent, array-oriented data access33 rdeps

All Packages

150 results
maeparser1.3.3_1
Parser for Schrodinger Maestro files2 rdeps
massxpert6.0.3_1
Software suite for (bio)chemists
mbdyn1.7.3_19
MultiBody Dynamics analysis system
mcpl2.2.0
Monte Carlo Particle Lists library
mcstas2.5
Monte Carlo neutron ray tracing package2 rdeps
mcstas-comps2.5_3
Component Library for the McStas neutron ray tracing package
mctc-lib0.5.0
Computation tool chain library to work with molecular structure data8 rdeps
mcxtrace1.2_1
Monte Carlo X-ray tracing package1 rdeps
mcxtrace-comps1.2
Component Library for the McXtrace X-ray tracing package
mdynamix5.3.0
General purpose molecular dynamics code
medit2012.02.05_5
Interactive meshes visualization
meep1.29.0_8
Finite-difference time-domain software for electromagnetic simulations
MetaPhysicL1.3.3_1
Metaprogramming, operator-overloaded classes for numerical simulations
minc22.2.00_15,1
Medical Imaging NetCDF
mmdb22.0.22
C++ toolkit for working with macromolecular coordinate files3 rdeps
mmg5.8.0
Bidimensional and tridimensional remeshing1 rdeps
mmtf-cpp1.1.0_1
C++ MMTF format API, decoder and encoder, for molecular structures
mol2ps0.4c_2
Read molecular structure files and generate Postscript output
molgifg20180108_37
Tool to create GIF animations of molecules
MolScript2.1.2_4
Display 3D molecules in schematic and detailed representations
molsketch0.8.2
2D molecule editor
mopac23.2.2,1
Semi-empirical (MNDO, etc.) molecular orbital calculation
mp2df20190610
Program for calculating the MP2D dispersion energy
mpb1.12.0
MIT Photonic-Bands1 rdeps
mpqc2.3.1_52
Massively Parallel Quantum Chemistry Program2 rdeps
mrchem1.1.4
MultiResolution Chemistry1 rdeps
mrcpp1.5.0_1
MultiResolution Computation Program Package1 rdeps
mstore0.3.0
Molecular structure store for testing1 rdeps
multicharge0.4.0
Electronegativity equilibration model for atomic partial charges1 rdeps
multiwfn3.8_5
Multifunctional wavefunction analysis for quantum chemistry
mutationpp1.0.6.d2
MUlticomponent Thermodynamic And Transport library for IONized gases
ncrystal4.2.8
Library for thermal neutron transport in crystals and other materials
nest3.8_5
Simulator for spiking neural network models
netcdf4.9.3
C library for machine-independent, array-oriented data access33 rdeps
netcdf-cxx4.3.1_3
C++ library for machine-independent, array-oriented data access1 rdeps
netcdf-fortran4.6.2
Fortran library for machine-independent, array-oriented data access2 rdeps
nifticlib2.0.0_2
Neuroimaging Informatics Technology Initiative data format
nlcglib1.1.0_3
Nonlinear CG methods for wave-function optimization in DFT
numsa0.2.0
Solvent accessible surface area calculation1 rdeps
nwchem7.3.1
High-performance computational chemistry software
nwchem-data7.3.1
Data for NWChem, the computational chemistry software1 rdeps
ocean-spectroscopy-code3.1.0_4
BSE code for core spectroscopy
octopus16.0
Scientific program aimed at the ab initio virtual experimentation
openbabel3.1.1.178_6
Chemical toolbox designed to speak the many languages of chemical data9 rdeps
openems0.0.36_7
Electromagnetic field solver using the EC-FDTD method1 rdeps
openkim-models2021.08.11_2
Open Knowledgebase of Interatomic Models1 rdeps
openmodelica1.25.7
Modelica-based modeling and simulation environment
openmolcas25.10
Quantum chemistry software package
openmx3.9.9_2
Nanoscale material simulations using density functional theories (DFT)
OpenSim-core4.1_9
Software for modeling of musculoskeletal structures
OpenSPH0.4.1_11
Library and graphical tools for running SPH and N-body simulations
opsin3.0.20190223_1
Open Parser for Systematic IUPAC Nomenclature of chemical names
optench1.2.5
Virtual optical bench
orthanc1.12.10_1
Lightweight DICOM server for healthcare and medical research4 rdeps
orthanc-dicomweb1.21_1
Orthanc DICOMWeb plugin
orthanc-mysql5.2_1
Orthanc plugin to use MySQL/MariaDB for indexing or storage
orthanc-postgresql10.0
Orthanc plugin to use PostgreSQL for indexing or storage
orthanc-webviewer2.10
Orthanc web viewer plugin
p5-Chemistry-3DBuilder0.10_1
Generate 3D coordinates from a connection table1 rdeps
p5-Chemistry-Bond-Find0.23_1
Detect bonds in a molecule and assign formal bond orders5 rdeps
p5-Chemistry-Canonicalize0.11_1
Number the atoms in a molecule in a unique way4 rdeps
p5-Chemistry-Elements1.081
Perl extension for working with Chemical Elements
p5-Chemistry-File-MDLMol0.21_1
MDL molfile reader/write1 rdeps
p5-Chemistry-File-Mopac0.15_1
MOPAC 6 input file reader/writer1 rdeps
p5-Chemistry-File-PDB0.23_1
Perl module to read and write PDB files2 rdeps
p5-Chemistry-File-SLN0.11_1
SLN linear notation parser/writer1 rdeps
p5-Chemistry-File-SMARTS0.22_1
SMARTS chemical substructure pattern linear notation parser2 rdeps
p5-Chemistry-File-SMILES0.47_2
SMILES linear notation parser/writer5 rdeps
p5-Chemistry-File-VRML0.10_1
Generate VRML models for molecules1 rdeps
p5-Chemistry-File-XYZ0.11_1
XYZ molecule format reader/writer1 rdeps
p5-Chemistry-FormulaPattern0.10_1
Match molecule by formula1 rdeps
p5-Chemistry-InternalCoords0.18_1
Represent the position of an atom using internal coordinates3 rdeps
p5-Chemistry-Isotope0.11_1
Table of the isotopes exact mass data1 rdeps
p5-Chemistry-MacroMol0.06_1
Perl toolkit to describe macromolecules3 rdeps
p5-Chemistry-MidasPattern0.11_1
Select atoms in macromolecules1 rdeps
p5-Chemistry-Mok0.25_1
Molecular awk interpreter1 rdeps
p5-Chemistry-Mol0.40
Perl toolkit to describe molecules20 rdeps
p5-Chemistry-OpenSMILES0.12.0
OpenSMILES format reader and writer
p5-Chemistry-Pattern0.27_1
Chemical substructure pattern matching6 rdeps
p5-Chemistry-Reaction0.02_1
Represent a ring as a substructure of a molecule1 rdeps
p5-Chemistry-Ring0.20_1
Represent a ring as a substructure of a molecule6 rdeps
p5-Geo-BUFR1.40
Perl extension for handling of WMO BUFR files
p5-Geo-Calc0.12
Simple geo calculator for points and distances
p5-Geo-Coordinates-Converter0.13_1
Simple converter of geo coordinates2 rdeps
p5-Geo-Coordinates-Converter-iArea0.14_1
Some utility functions around iArea1 rdeps
p5-Geo-Coordinates-Transform0.10
Transform Latitude/Longitude between various different coordinate functions1 rdeps
p5-Geo-WebService-Elevation-USGS0.201
Perl extension for elevation queries against USGS web services
p5-Mcstas-Tools2.5_3
Perl based tools for the McStas neutron ray tracing package
p5-PerlMol0.3500_2
Perl modules for molecular chemistry
p5-Physics-Unit0.60
Manipulate Physics units and dimensions
packmol21.1.4
Creates Initial Configurations for Molecular Dynamics Simulations
pagmo22.19.1_7
Platform to perform parallel computations of optimization tasks3 rdeps
paje1.97_13
Generic visualization tool for GNUstep (Gantt chart and more)1 rdeps
paraview5.13.3_11
Powerful scientific data visualization application
parthenon24.08_3
Portable block-structured Adaptive Mesh Refinement (AMR) framework
pastix6.3.2_2
PaStiX: a sparse direct solver
pcmsolver1.3.0_2
API for the Polarizable Continuum Model
PETSc3.22.4_1
Suite of data structures and routines from Argonne National Laboratory6 rdeps
phonopy2.42.0
Package for phonon calculations at harmonic and quasi-harmonic levels
plumed2.9.3_1
PLUgin for MolEcular Dynamics2 rdeps
pnetcdf-mpich1.14.1
Library providing high-performance I/O1 rdeps
pnetcdf-openmpi1.14.1
Library providing high-performance I/O
polytope0.7.4_1
Library for generating Voronoi and Voronoi-like tessellations1 rdeps
psi41.9.1_5
Open-source suite of ab initio quantum chemistry programs
pulseview0.4.2_8
GUI client that supports various hardware logic analyzers
py311-abipy0.9.8_3
Library for analyzing the results produced by ABINIT
py311-access1.1.9_3
Calculate spatial accessibility metrics1 rdeps
py311-arbor0.11.0
Multi-compartment neural network simulation library
py311-arch6.3.0
Autoregressive Conditional Heteroskedasticity (ARCH) models
py311-asap33.12.8_4
Classical potentials for MD with ASE
py311-asdf5.1.0
Python tools to handle ASDF files1 rdeps
py311-asdf-standard1.4.0
ASDF Standard schemas2 rdeps
py311-asdf-transform-schemas0.6.0
ASDF schemas for transforms1 rdeps
py311-ase3.26.0
Atomic simulation environment7 rdeps
py311-atomium1.0.11_4
Molecular modeller and file parser
py311-avogadrolibs1.100.0
Python bindings for Avogadro2 chemistry libraries
py311-boutdata0.1.10_4
Python package for collecting BOUT++ data1 rdeps
py311-boututils0.1.9_5
Python package containing BOUT++ utils1 rdeps
py311-cdo1.6.0_1
Python binding to CDO (Climate Data Operators)
py311-cfgrib0.9.15.1
Map GRIB files to the NetCDF Common Data Model following the CF Convention using ecCodes
py311-chainer7.8.1_13
Deep learning framework1 rdeps
py311-chainer-chemistry0.7.1_3
Library for deep learning in biology and chemistry
py311-chempy0.10.1_1
Package useful for solving problems in chemistry
py311-cirq-aqt1.6.1_1
Cirq module to run on AQT quantum computers
py311-cirq-core1.6.1_1
Framework for Noisy Intermediate Scale Quantum (NISQ) circuits4 rdeps
py311-cirq-google1.6.1
Google Cirq adapter for IQM's quantum architectures2 rdeps
py311-cirq-ionq1.6.1_1
Cirq module to run on IonQ quantum computers
py311-cirq-pasqal1.6.1_1
Cirq module to run on pasqal quantum computers
py311-cirq-web1.6.1
Cirq module to visualize quantum circuits in 3D in a web browser
py311-coards1.0.5_4
COARDS compliant time parser
py311-corner2.2.3
Make some beautiful corner plots
py311-dftbplus24.1_1
DFTB+: Package for performing fast atomistic simulations
py311-dftd43.7.0
Python API of the DFT-D4 project
py311-dimod0.12.21
DWave: Shared API for QUBO/Ising samplers10 rdeps
py311-dipy1.10.0
Python toolbox for analysis of MR diffusion imaging
py311-dlib20.0.0_1
Machine learning framework written in C++ (python bindings)2 rdeps
py311-dwave-cloud-client0.14.0
DWave: REST interface to communicate with D-Wave Solver API servers4 rdeps
py311-dwave-gate0.3.4
DWave: Gate model library1 rdeps
py311-dwave-greedy0.3.0_3
DWave: Greedy binary quadratic model solvers
py311-dwave-hybrid0.6.14
DWave: Hybrid asynchronous decomposition sampler prototype framework1 rdeps
py311-dwave-inspector0.5.5
DWave: Problem Inspector1 rdeps
py311-dwave-neal0.6.0_3
DWave: Simulated annealing sampler for general Ising model graphs1 rdeps
py311-dwave-networkx0.8.18
DWave: Extension of the NetworkX Python package for graphs5 rdeps
py311-dwave-ocean-sdk9.0.0
DWave: Meta-package for D-Wave's Ocean tools
py311-dwave-optimization0.6.6_1
DWave: Nonlinear models for industrial optimization problems2 rdeps
py311-dwave-preprocessing0.6.10
DWave: Preprocessing tools to aid in solving binary quadratic models3 rdeps
py311-dwave-samplers1.6.0
DWave: Classical algorithms for solving binary quadratic models6 rdeps
py311-dwave-system1.33.0
DWave: API for incorporating the D-Wave system as a sampler3 rdeps
py311-dwave-tabu0.5.0_3
DWave: Tabu solver for QUBO/Ising problems
py311-dwavebinarycsp0.3.0_2
DWave: Map CSP with binary variables to binary quadratic models