About this repo:
This repo contains the example data files, and colab notebook links to run docking for single complex and multiple complexes.
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Data folder contains the protein, and ligand structures for demo run
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[Colab Notebook For Multiple Entries] - Work In Progress
Credits: The current version of the colab notebook revised from Brain's work/code. Brian Naughton's work
Refer DiffDock Research Article - for Implementation of DiffDock, state-of-the-art method for molecular docking, by Gabriele Corso*, Hannes Stark*. Please refer Github for DiffDock implmentation code.
Alternate Version of DiffDock: