/tools/FlowDock
FlowDock
BioinfoMachineLearning/FlowDock
126 stars22 forksPythonAdded February 4, 2026
summary
FlowDock is a geometric flow matching model designed for generative protein-ligand docking and affinity prediction. It provides tools for predicting molecular interactions and includes datasets for training and evaluation, making it a valuable resource in computational chemistry and molecular biology.
description
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
topics
computational-biologycomputational-chemistrydeep-learninggenerative-modelmachine-learningmolecular-dockingstructure-prediction
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