PyRank

Forcefields Python Packages

Python packages with the GitHub topic forcefields. Sorted by monthly downloads, with stars and forks.
trevorgokey
besmarts-mechanics

A toolkit for data-driven force field design based on binary-encoded SMARTS

119 7 3
trevorgokey
besmarts

A toolkit for data-driven force field design based on binary-encoded SMARTS

84 7 3
trevorgokey
besmarts-openmm

A toolkit for data-driven force field design based on binary-encoded SMARTS

78 7 3
trevorgokey
besmarts-rdkit

A toolkit for data-driven force field design based on binary-encoded SMARTS

76 7 3
trevorgokey
besmarts-scipy

A toolkit for data-driven force field design based on binary-encoded SMARTS

72 7 3