pypi.org "forcefield-parameterization" keyword
offpele 0.3.1
Open Force Field to PELE4 versions - Latest release: about 6 years ago - 1 dependent repositories - 51 downloads last month - 13 stars on GitHub - 1 maintainer
mapsci 0.0.3
MAPSCI: Multipole Approach of Predicting and Scaling Cross Interactions3 versions - Latest release: almost 6 years ago - 1 dependent repositories - 23 downloads last month - 0 stars on GitHub - 1 maintainer
auto-fox 0.10.2
A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors ...4 versions - Latest release: about 4 years ago - 60 downloads last month - 12 stars on GitHub - 2 maintainers
peleffy 1.4.4
PELE Force Field Yielder14 versions - Latest release: over 3 years ago - 3 dependent repositories - 182 downloads last month - 13 stars on GitHub - 1 maintainer
acellera-openff-toolkit 0.19.0
openff-toolkit5 versions - Latest release: 9 days ago - 341 downloads last month - 418 stars on GitHub - 1 maintainer
neoralab-openff-toolkit 0.1.3
OpenFF toolkit distribution maintained by Neoralab1 version - Latest release: 7 months ago - 10 downloads last month - 418 stars on GitHub - 1 maintainer
openff-toolkit
openff-toolkit1 version - Latest release: 7 days ago - 991 downloads last month - 418 stars on GitHub - 1 maintainer
ezff 1.0.11
Multiobjective forcefield optimization for Molecular Dynamics17 versions - Latest release: about 2 years ago - 1 dependent repositories - 104 downloads last month - 5 stars on GitHub - 1 maintainer
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forcefield
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molecular mechanics
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molecular-mechanics
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molecular-dynamics
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open-force-field-consortium
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force-fields
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chemical-environment-perception
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parameterization
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force field
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