It has been nine years since a Chinese HPC supercomputer was at the top of the High Performance Linpack performance rankings, but as we all know, China did break through the exascale flops barrier at ...
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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