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- pcam Public
Code and data for "PCAM: proteochemometric assay-aware modeling for robust bioactivity estimation and uncertainty quantification" (J. Cheminform. 2026, doi:10.1186/s13321-026-01316-0). Assay-aware PCM models with ensemble, MC-dropout and evidential uncertainty on a 167-GPCR ChEMBL benchmark.
- COFOLDER Public
COFOLDER is a collection of command-line workflows for protein-ligand co-folding and pre-cofolding diagnostics.
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- PyTEA-O Public
- QSPRpred Public
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
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- COFOLDER-manuscript Public
Data and reproduction materials for COFOLDER: Toward Bias-Aware Co-Folding for Ligand Screening and Design
- cyst-to-target-and-back Public
Repository with the scripts used for the paper From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease
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