alchemical

There are 3 repositories under alchemical topic.

choderalab/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Language:Python183 23 76171
SimonBoothroyd/absolv
Absolute solvation free energy calculations with OpenFF and OpenMM
Language:Python21 1 63
Gromweld/AlchemicalSolutions
Repository for the quest "Alchemical Solutions" written by Gromweld
0 1 01