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choderalab/openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Owner
choderalab (organization)
Stars
Stars: 342
Forks
Forks: 89
Language
Python
License
MIT
Created
2014
Topics
openmmmolecular-dynamicsalchemical-free-energy-calculationsintegratorsfree-energy-calculationsmolecular-simulationspythonmcmcmarkov-chain-monte-carloreplica-exchange
Tier
Alpha (250 to 699 ★) What this tier means
View on GitHub

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