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Search results for openmm free energy
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3 search results found
Yank
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150
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Ufedmm
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20
Unified Free Energy Dynamics (UFED) simulations with OpenMM
Absolv
⭐
11
Absolute solvation free energy calculations with OpenFF and OpenMM
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