Wrapper for RDKit's RunReactants to improve stereochemistry handling
updated at May 29, 2024, 5:35 a.m.
Optimising chemical reactions using machine learning
updated at June 3, 2024, 10:23 a.m.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
updated at June 9, 2024, 1:38 a.m.