Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "force-fields" keyword
nequip 0.5.5
NequIP is a code for building E(3)-equivariant interatomic potentials2 versions - Latest release: almost 2 years ago - 325 stars on GitHub
moltemplate 2.20.15
A general cross-platform tool for preparing simulations of molecules and complex molecular assemb...11 versions - Latest release: over 1 year ago - 1 dependent repositories - 179 stars on GitHub
openff-toolkit-base 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...15 versions - Latest release: over 1 year ago - 13 dependent packages - 2 dependent repositories - 232 stars on GitHub
openff-toolkit-examples 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...12 versions - Latest release: over 1 year ago - 232 stars on GitHub
openff-toolkit 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...15 versions - Latest release: over 1 year ago - 8 dependent packages - 14 dependent repositories - 232 stars on GitHub
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molecular-dynamics
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amber
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smirnoff-force-field
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openmm
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open-force-field-consortium
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nsf-grant-che-1738979
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molecular-mechanics
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forcefield
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opls
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open-science
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