Popular repositories Loading

1. Meeko Meeko Public

   Interfacing RDKit and AutoDock

   Python 190 46

2. Ringtail Ringtail Public

   Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina

   Python 36 6

3. waterkit waterkit Public

   Tool to predict water molecules placement and energy in ligand binding sites

   C++ 26 8

4. bottchscore bottchscore Public

   Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)

   Python 13 6

5. cosolvkit cosolvkit Public

   CosolvKit is a versatile tool for cosolvent MD preparation and analysis

   Python 6

6. scrubber scrubber Public

   Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock

   Python 5 3