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pypi.org "forcefield-parameterization" keyword

View the packages on the pypi.org package registry that are tagged with the "forcefield-parameterization" keyword.

auto-fox 0.10.2
A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors ...
4 versions - Latest release: about 3 years ago - 112 downloads last month - 11 stars on GitHub - 2 maintainers
mapsci 0.0.3
MAPSCI: Multipole Approach of Predicting and Scaling Cross Interactions
3 versions - Latest release: almost 5 years ago - 1 dependent repositories - 16 downloads last month - 0 stars on GitHub - 1 maintainer
ezff 1.0.11
Multiobjective forcefield optimization for Molecular Dynamics
17 versions - Latest release: 10 months ago - 1 dependent repositories - 80 downloads last month - 5 stars on GitHub - 1 maintainer
peleffy 1.4.4
PELE Force Field Yielder
14 versions - Latest release: over 2 years ago - 3 dependent repositories - 37 downloads last month - 12 stars on GitHub - 1 maintainer
offpele 0.3.1
Open Force Field to PELE
4 versions - Latest release: almost 5 years ago - 1 dependent repositories - 29 downloads last month - 12 stars on GitHub - 1 maintainer
Related Keywords
forcefield 4 python 3 pele 2 opls 2 openforcefield 2 potential energy 2 molecular mechanics 2 molecular-dynamics 1 genetic-algorithm 1 simulation-modeling 1 python-3.10 1 python-3.9 1 python-3.8 1 python-3.7 1 python-3 1 chemistry 1 science 1 molecular-mechanics 1 quantum-mechanics 1