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Updated 6 months ago

https://github.com/choderalab/openmmtools • Rank 13.1 • Science 59%

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

alchemical-free-energy-calculations free-energy-calculations integrators markov-chain-monte-carlo mcmc molecular-dynamics molecular-simulations openmm python replica-exchange

ecosyste.ms

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https://github.com/choderalab/openmmtools • Rank 13.1 • Science 59%