openforcefield

There are 7 repositories under openforcefield topic.

openforcefield/openff-evaluator
A physical property evaluation toolkit from the Open Forcefield Consortium.
Language:Python54 23 8518
rinikerlab/PyGromosTools
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
Language:Python16 3 8814
martimunicoy/peleffy
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
Language:Python12 3 798
openforcefield/openforcefield.org
Hugo website source for openforcefield.org
Language:JavaScript7 20 4414
timbernat/polymerist
Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
Language:Python3 2 93
MolSSI/mmic_openff
Tactic MMIC translator for OpenFF/MMSchema
Language:Python1 4 2
martimunicoy/peleffy-benchmarks
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
Language:Jupyter Notebook0 2 70