solvation topic
List
solvation repositories
FreeSolv
94
Stars
53
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Experimental and calculated small molecule hydration free energies
GuthrieSolv
30
Stars
9
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Experimental small molecule hydration free energy dataset
SSTMap
38
Stars
23
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Solvation Structure and Thermodynamic Mapping
POPScomp
15
Stars
4
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Solvent Accessible Surface Areas of Biomolecules and their Complexes
absolv
19
Stars
3
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Absolute solvation free energy calculations with OpenFF and OpenMM