The official sources for the RDKit library
Role in this project:
Back-end Developer Contributions:11 commits, 29 PRs, 146 comments in 2 years
Contributions summary:Guillaume contributed significantly to the RDKit library, specifically focusing on the development of chemical descriptors and fingerprinting functionalities. They implemented updates to the Morgan fingerprint calculation, including features for redundant environment handling and improved random SMILES generation. The contributions also involve adapting the code base to support atom feature extraction and incorporation of Coulomb Matrix calculations.
cheminformaticsrdkitpythonc-plus-plussources
The official sources for the RDKit library
Contributions:17 PRs, 217 pushes, 54 branches in 8 years 3 months
rdkitinfinibandsystems-programmingrdmasources