A physical property evaluation toolkit from the Open Forcefield Consortium.
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Sep 11, 2026 - Python
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openforcefield
Here are 8 public repositories matching this topic...
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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Mar 31, 2026 - Python
Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
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Aug 19, 2026 - Python
Hugo website source for openforcefield.org
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Sep 2, 2026 - JavaScript
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
Dinámica molecular en una GPU de consumo (RTX 4060): control estructural con Chignolin y aplicación a la PTR1 de Leishmania panamensis. Proyecto JIC 2026.
gpu molecular-dynamics computational-biology openmm markov-state-model openforcefield alphafold ptr1 leishmania chignolin
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Sep 5, 2026 - Python
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