A physical property evaluation toolkit from the Open Forcefield Consortium.
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Nov 15, 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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Aug 8, 2024 - Python
Hugo website source for openforcefield.org
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Aug 24, 2024 - JavaScript
Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools
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Nov 14, 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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