DiffDock is now on
@huggingface
Spaces with interactive visualization of the diffusion steps. Built using
@Gradio
and 3dmol.js and you can upload your own ligands as SMILES or sdf/mol2. Happy docking!
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Excited to share DiffDock, new non-Euclidean diffusion for molecular docking! In PDBBind, standard benchmark, DiffDock outperforms by a huge margin (38% vs 23%) the previous state-of-the-art methods that were based on expensive search!
A thread! 👇
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Props to the authors (
@GabriCorso
@HannesStaerk
et al.) that made the code available in contrast to most other papers for diffusion models in the bio space . Would love to add other models in the space as comparison. 2/2
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