The official sources for the RDKit library
Role in this project:
Back-end Developer Contributions:21 commits, 3 PRs, 15 comments in 1 year 10 months
Contributions summary:Samo primarily contributed to the `rdkit/rdkit` repository by enhancing the `PandasTools` module. They implemented new functionalities for handling and manipulating molecular data within Pandas DataFrames, including options for isomeric SMILES in SDF loading and SMILES saving. The user also added a feature to save dataframes in the XLSX format with embedded images of molecules.
cheminformaticsrdkitpythonc-plus-plussources
Contributions:25 commits, 15 pushes in 3 years 3 months
cheminformaticspythonjupyter-notebooknotebooksjupyter