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1. QupKake QupKake Public

   Forked from Shualdon/QupKake

   Machine Learning model for molecular micro-pKa prediction

   Fortran 42 5

2. GA-Best-Practices GA-Best-Practices Public

   Forked from brigreens/GA-Best-Practices

   Jupyter Notebook 8 1

3. quantum-torsions quantum-torsions Public

   Jupyter Notebook 4

4. molecular-entropies molecular-entropies Public

   Forked from ghutchis/molecular-entropies

   Data and analysis scripts for understanding molecular entropies, including conformer flexibility

   Jupyter Notebook 11 6

5. GA-tandem-OSCs GA-tandem-OSCs Public

   Forked from brigreens/GA-tandem-OSCs

   5 2