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IMERGE-FEP
IMERGE-FEP PublicForked from LindeSchoenmaker/IMERGE-FEP
To enumerate combinations of R-groups for a molecule pair and prune down to logical options for FEP intermediates.
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Repositories
- COFOLDER Public
COFOLDER is a collection of command-line workflows for protein-ligand co-folding and pre-cofolding diagnostics.
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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
- Capricho Public Forked from David-Araripe/Capricho
A Python package to flexibly aggregate ChEMBL data into ML-ready datasets using configurable quality filters
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