holden-lyn

RNAseq-EC_number-matching

Match EC numbers of enzymes to locus tags of RNAseq data

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

Rosetta_ddg_monomer_tutorial

Rosetta_ligand_docking

Tutorial on Rosetta_ligand_docking