Improved Prediction Of Ligand-Protein Binding Affinities By Meta-Modeling

• This repository contains scripts, codes, and data for the following study by Lee, Emani, and Gerstein: https://arxiv.org/abs/2310.03946

• The scripts and codes are shared without optimization in this repository, which may include analyses and results that were not reported in the study above.

File description

1. README.md : This current page
2. SupplementaryTables.revised.xlsx : Supplementary Tables S1 to S9 associated with our article (v2) above
3. data : Data for model training and evaluation
4. docking : Empirical docking tools
5. deep learning : Deep learning models
6. meta-models : Meta-models
7. LICENSE : GNU General Public License v3.0

Contacts

• Ho-Joon Lee, Ph.D.: ho-joon.lee[at]yale.edu
• Prashant Emani, Ph.D.: prashant.emani[at]yale.edu

License

Released under the GNU General Public License v3.0. See LICENSE.