absolv

condav1.0.4

Absolute solvation free energy calculations with OpenFF and OpenMM

License MITpermissive5 versions1 maintainers0 deps50 weekly dl
SimonBoothroyd/absolv
36
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First published · 2021-12-23 18:22:13.672000+00:00

Last updated · 2025-04-22 14:58:07.804000+00:00