mattholc

Pinned Repositories

• bottchscore

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

  Language:Python13656

• cosolvkit

  CosolvKit is a versatile tool for cosolvent MD preparation and analysis

  Language:Python65230

• Meeko

  Interfacing RDKit and AutoDock

  Language:Python1841111646

• Ringtail

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

  Language:Python3610285

mattholc's Repositories