Statements (43)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
molecular simulation toolkit
|
| gptkbp:application |
molecular dynamics simulations
|
| gptkbp:category |
gptkb:software
computational chemistry software |
| gptkbp:citation |
Eastman, P., et al. (2013). OpenMM 4: A reusable, extensible, hardware independent library for high performance molecular simulation. Journal of Chemical Theory and Computation, 9(1), 461-469.
Eastman, P., et al. (2023). OpenMM 8: A major update to a high performance molecular simulation toolkit. Journal of Chemical Theory and Computation, 19(3), 1601-1610. Eastman, P., et al. (2017). OpenMM 7: Rapid development of high performance algorithms for molecular dynamics. PLOS Computational Biology, 13(7), e1005659. |
| gptkbp:developer |
gptkb:Stanford_University
gptkb:SimTK |
| gptkbp:documentation |
https://openmm.org/documentation.html
|
| gptkbp:feature |
GPU acceleration
plugin architecture Python API custom force fields |
| gptkbp:firstReleased |
2007
|
| https://www.w3.org/2000/01/rdf-schema#label |
OpenMM
|
| gptkbp:latestReleaseVersion |
2023-03-01
8.0.0 |
| gptkbp:license |
gptkb:MIT_License
|
| gptkbp:maintainedBy |
gptkb:Peter_Eastman
|
| gptkbp:operatingSystem |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:programmingLanguage |
gptkb:Python
gptkb:C++ |
| gptkbp:repository |
https://github.com/openmm/openmm
|
| gptkbp:supports |
gptkb:CUDA
gptkb:OpenCL AMBER force fields CHARMM force fields CPU platforms Desmond file formats GROMACS file formats LAMMPS file formats |
| gptkbp:usedFor |
drug discovery
biomolecular simulations protein folding studies |
| gptkbp:website |
https://openmm.org/
|
| gptkbp:bfsParent |
gptkb:SimTK
gptkb:CHARMM-GUI gptkb:CHARMM_software gptkb:CHARMM_force_field |
| gptkbp:bfsLayer |
8
|