3 results found Sort:

openforcefield
openff-toolkit openforcefield
92
318
mit
37
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
4,933 commits to main branch, last one a day ago
openforcefield
openff-interchange openforcefield
23
71
mit
21
A project (and object) for storing, manipulating, and converting molecular mechanics data.
amber lammps openmm gromacs forcefield interoperability molecular-simulation
Created 2020-05-15
3,402 commits to main branch, last one 2 days ago
openforcefield
openff-evaluator openforcefield
18
55
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
1,576 commits to main branch, last one 3 days ago