/tools/FABind

FABind

QizhiPei/FABind

138 stars18 forksPythonWebsiteAdded February 5, 2026
summary

FABind is a software tool designed for fast and accurate prediction of protein-ligand binding interactions. It includes enhancements for molecular docking through improved pocket prediction and pose generation, making it useful for drug discovery and molecular simulations.

description

FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

topics

bindingcomputational-biologydockingmachine-learningbioinformatics

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