Pinned Repositories
bcl
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The cheminformatics toolkit contains customizable tools for the design, processing, and analysis of small molecules for computer-aided drug discovery.
DLKcat
Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
flex_ddG_tutorial
RNAseq-EC_number-matching
Match EC numbers of enzymes to locus tags of RNAseq data
Rosetta_ddg_monomer_note
Rosetta_ligand_docking
Tutorial on Rosetta_ligand_docking
holden-lyn's Repositories
holden-lyn/RNAseq-EC_number-matching
Match EC numbers of enzymes to locus tags of RNAseq data
holden-lyn/Rosetta_ddg_monomer_note
holden-lyn/bcl
The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The cheminformatics toolkit contains customizable tools for the design, processing, and analysis of small molecules for computer-aided drug discovery.
holden-lyn/DLKcat
Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction
holden-lyn/flex_ddG_tutorial
holden-lyn/Rosetta_ligand_docking
Tutorial on Rosetta_ligand_docking