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 ...
Abstract: Large graph networks frequently appear in the latest applications. Their graph structures are very large, and the interaction among the vertices makes it difficult to split the structures ...
Abstract: Novel virtualized HPC centers provide isolated and configurable Virtual Clusters (VC) on shared distributed infrastructures as execution environments for parallel and distributed ...
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