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Top 2 free-energies open source projects
FreeSolv
Experimental and calculated small molecule hydration free energies
✭ 64
python
Jupyter Notebook
database
hydration
solvation
experimental-data
free-energies
calculated-values
experimental-values
GuthrieSolv
Experimental small molecule hydration free energy dataset
✭ 30
python
database
hydration
solvation
water
experimental-data
free-energies
experimental-values
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