Select an issue and ask to be assigned to it. Check existing scripts in the projects directory. Star this repository. On the python-mini-projects repo page, click the Fork button. Clone your forked ...

We benchmark on the community-standard Dalke NN dataset (1,000 high-similarity ChEMBL pairs) — the same dataset widely used by RDKit, CDK, and the academic MCS literature. Identical SMILES input, same ...