3 results found Sort:

openforcefield
openff-toolkit openforcefield
88
300
mit
40
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
amber openmm forcefield force-fields molecular-dynamics molecular-mechanics smirnoff-force-field nsf-grant-che-1738979 forcefield-parameterization open-force-field-consortium chemical-environment-perception
Created 2017-04-01
4,902 commits to main branch, last one 5 days ago
openforcefield
openff-interchange openforcefield
21
64
mit
22
A project (and object) for storing, manipulating, and converting molecular mechanics data.
amber lammps openmm gromacs forcefield interoperability molecular-simulation
Created 2020-05-15
3,167 commits to main branch, last one 11 days ago
openforcefield
openff-evaluator openforcefield
18
51
mit
23
A physical property evaluation toolkit from the Open Forcefield Consortium.
openmm thermoml assessment forcefield validation force-field openforcefield physical-properties
Created 2019-01-31
1,564 commits to main branch, last one about a month ago