Back in 1994, a guy named Richard Garfield — who you may remember from another one of his inventions, Magic: the Gathering — essentially invented the subgenre of programmed movement games with ...
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 ...
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