A physical property evaluation toolkit from the Open Forcefield Consortium.
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Dec 5, 2024 - Python
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openforcefield
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This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
python api wrapper simulation molecular-dynamics computational-chemistry rdkit md energy-minimization openforcefield stochastic-dynamics gromos protein-simulations
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Oct 17, 2023 - Python
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
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Nov 23, 2024 - Python
Hugo website source for openforcefield.org
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Dec 21, 2024 - JavaScript
Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
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Dec 19, 2024 - Python
Tactic MMIC translator for OpenFF/MMSchema
standards interoperability molecular-mechanics smirnoff-force-field forcefield-parameterization openforcefield mmic mmschema
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Oct 5, 2021 - Python
A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).
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Dec 17, 2020 - Jupyter Notebook
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