pde10a

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chr13b / openfold3-pde10a-domain-adaption

Fine-tuning OpenFold3 (4.0.0) for PDE10A protein–ligand pose prediction via distribution-aware PDB-scale data augmentation: +0.20 PL LDDT, −2.3 Å ligand RMSD on held-out.

bioinformatics cheminformatics structural-biology pdb protein-structure drug-discovery umap domain-adaptation fine-tuning pose-prediction protein-ligand esm2 openfold3 co-folding pde10a morgan-fingerprint butina-clustering

Updated Jun 4, 2026
Python

missharismitha / pde10a-cofolding

Star

PDE10A protein-ligand co-folding analysis with OpenFold3 - built for the Apheris x OpenFold track at BioIncubate's Catalyst hackathon at ETH Zurich.

machine-learning bioinformatics hackathon structural-biology drug-discovery protein-structure-prediction openfold3 co-folding pde10a

Updated Aug 11, 2026
Python

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