Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results of fragment screens on many diverse targets, this method has…

Updated version of Silicos-it's shape-based alignment tool

Graph-based genetic algorithm

Gathers & improves machine learning and deep learning models for Stock & Crypto forecasting, included trading bots and simulations.

An extended variant of idock which was originally developed by @HongjianLi.

Research and development projects for detection/early detection of Acute Myeloid Leukemia.

Code repo for optimizing distributions of molecules.

Deep-learning models for Drug Discovery and Quantum Chemistry