Results for "openforcefield"

Claude Code Claude Desktop GitHub Copilot Cursor Windsurf Cline Zed JetBrains

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openforcefield / Openff Evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.

universal

assessmentforce-fieldforcefield+5

Updated 9d ago

rinikerlab / PyGromosTools

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.

universal

apicomputational-chemistryenergy-minimization+10

Updated 10d ago

martimunicoy / Peleffy

The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

universal

forcefield-parameterizationopenforcefieldopls+2

Updated 5d ago

openforcefield / Openforcefield Forcebalance

Optimization of OpenFF parameters using ForceBalance and QCArchive

universal

Updated 5mo ago

timbernat / Polymerist

Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Tools

universal

molecular-dynamicsopenforcefieldpolymerscience

Updated 25d ago

openforcefield / Openforcefield.org

Hugo website source for openforcefield.org

universal

hugokubeopenforcefield+1

Updated 10d ago