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pypi.org "potential energy" keyword

offpele 0.3.1
Open Force Field to PELE
4 versions - Latest release: about 6 years ago - 1 dependent repositories - 51 downloads last month - 13 stars on GitHub - 1 maintainer
mdforce 0.0.0
MDForce is a package to calculate the force field, potential energy and related data in molecular...
1 version - Latest release: almost 5 years ago - 1 dependent repositories - 26 downloads last month - 1 stars on GitHub - 1 maintainer
peleffy 1.4.4
PELE Force Field Yielder
14 versions - Latest release: over 3 years ago - 3 dependent repositories - 182 downloads last month - 13 stars on GitHub - 1 maintainer
eqnorm 0.1.1
A machine learning potential energy project eqnorm
2 versions - Latest release: 4 months ago - 14 stars on GitHub - 1 maintainer
Related Keywords
molecular mechanics 2 forcefield 2 forcefield-parameterization 2 openforcefield 2 opls 2 pele 2 python 2 Molecular dynamics 1 MD 1 MD simulation 1 force field 1 machine learning 1 eqnorm 1