choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home
MIT License
6 stars 3 forks source link

List absolute free energies, pIC50s, and IC50s for all compounds and microstates #89

Open jchodera opened 3 years ago

jchodera commented 3 years ago

We should list absolute free energies, pIC50s, and IC50s for all compounds and microstates.