Topic: "experimental-values"
MobleyLab/FreeSolv
Experimental and calculated small molecule hydration free energies
Language: Python - Size: 208 MB - Last synced at: 5 months ago - Pushed at: over 2 years ago - Stars: 104 - Forks: 53
MobleyLab/GuthrieSolv
Experimental small molecule hydration free energy dataset
Language: Python - Size: 4.33 MB - Last synced at: 12 months ago - Pushed at: about 3 years ago - Stars: 30 - Forks: 9