Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
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Updated
Jun 20, 2024 - Python
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Interaction Fingerprints for protein-ligand complexes and more
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Official repository for the Deep Docking protocol
Official repo of the modular BioExcel version of HADDOCK
This repository has been integrated in https://github.com/DeepRank/deeprank2
A package for MD, Docking and Machine learning drug discovery pipeline
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
Plausibility checks for generated molecule poses.
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Computational Analysis of Novel Drug Opportunities
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"
High-throughput molecular docking with multiple targets and ligands using Vina series engines
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