Sofware | Version | Field of application | License | Web |
---|
ABINIT | 8.4.2 | Quantum chemistry | Open source | https://www.abinit.org/ |
ADF | 2017.103 | Quantum chemistry | Proprietary | https://www.scm.com/product/adf/ |
Amber | Amber14 | Molecular dynamics | Proprietary | http://ambermd.org/ |
Code_Aster | 13.4 | Finite element analysis | Open source | https://www.code-aster.org/V2/spip.php?rubrique2 |
COMSOL | 4.2a | Multiphysics simulation | Proprietary | https://www.comsol.com/ |
CP2K | 5.1 | Quantum chemistry Molecular dynamics | Open source | https://www.cp2k.org/ |
CPMD | 4.1 | Ab initio molecular dynamics | Mixed license | http://www.cpmd.org/ |
CRYSTAL | CRYSTAL14 1.0.3 | Quantum chemistry | Proprietary | http://www.crystal.unito.it/index.php |
DFTB+ | 18.1 | | Open source | https://www.dftbplus.org/ |
DL_POLY | 4.03 | Molecular dynamics | Mixed license | https://www.scd.stfc.ac.uk/Pages/DL_POLY.aspx |
FDS | 6.5 | Computational fluid dynamics | Open source | https://pages.nist.gov/fds-smv/ |
FHI-aims | 161201 | Quantum chemistry | Proprietary | https://aimsclub.fhi-berlin.mpg.de/ |
Fluent | 16.2 | Computational fluid dynamics | Proprietary | https://www.ansys.com/Products/Fluids/ANSYS-Fluent |
GAMESS-US | 2014 | Quantum chemistry | Open source | http://www.msg.chem.iastate.edu/gamess/ |
Gaussian | 09 D.01 | Quantum chemistry | Proprietary | http://gaussian.com/ |
Gromacs | 2016-3 | Molecular dynamics | Open source | http://www.gromacs.org/ |
LAMMPS | 31Mar2017 | Molecular dynamics | Open source | http://lammps.sandia.gov/ |
MOLCAS | 7.8 | Quantum chemistry | Proprietary | http://www.molcas.org/ |
Molpro | 2012.1.20 | Quantum chemistry | Proprietary | https://www.molpro.net/ |
MOPAC | 17.101 | Quantum chemistry | Mixed license | http://openmopac.net/ |
NAMD | 2.12 | Molecular dynamics | Mixed license | http://www.ks.uiuc.edu/Research/namd/ |
NCL/NCAR Graphics | 6.1.2 | Earth sciences | Open source | https://www.ncl.ucar.edu/ |
NX Nastran | 6.0 | Finite element analysis | Proprietary | https://www.plm.automation.siemens.com/global/en/products/simcenter/ |
Ncview | 2.1.1 | Earth sciences | Open source | http://meteora.ucsd.edu/%7Epierce/ncview_home_page.html |
NetCDF | 4.4.1 | Library | Open source | https://www.unidata.ucar.edu/software/netcdf/ |
NWChem | 6.6 | Quantum chemistry | Open source | http://www.nwchem-sw.org/index.php/Main_Page |
Open Babel | 2.3.1 | Chemoinformatics | Open source | http://openbabel.org/wiki/Main_Page |
OpenFOAM | 5.0 | Computational fluid dynamics | Open source | https://www.openfoam.com/ |
ORCA | 4.0.0 | Quantum chemistry | Mixed license | https://orcaforum.cec.mpg.de/ |
ParaView | 5.0.1 | Data visualisation | Open source | https://www.paraview.org/ |
POLYRATE | 9.4.3 | Chemoinformatics | Mixed license | https://comp.chem.umn.edu/polyrate/ |
Quantum ESPRESSO | 6.2 | Quantum chemistry | Open source | http://www.quantum-espresso.org/ |
R | 3.4.0 | Language | Open source | https://www.r-project.org/ |
Schrödinger | 2014-4 | Bioinformatics | Proprietary | https://www.schrodinger.com/ |
SIESTA | 4.0b2 | Quantum chemistry | Mixed license | https://departments.icmab.es/leem/siesta/ |
TURBOMOLE | 6.1 | Quantum chemistry | Proprietary | http://www.cosmologic.de/turbomole/home.html |
VASP | 5.4.1 | Quantum chemistry | Proprietary | https://www.vasp.at/ |
WPS | 3.6.1 | Earth sciences | Open source | https://dtcenter.org/wrf-nmm/users/overview/wps_overview.php |
WRF | 3.8 | Earth sciences | Open source | http://www2.mmm.ucar.edu/wrf/users/ |
rDock | 2013.1 | | Open source | http://rdock.sourceforge.net/ |
WESTPA | 1.0 beta | | Open source | http://westpa.github.io/westpa/ |