Keep the news in the Wayback Machine. Sign Fight for the Future's letter. An icon used to represent a menu that can be toggled by interacting with this icon. A line drawing of the Internet Archive ...
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 ...
Robert Haase, Loic Alain Royer, Peter Steinbach, Deborah Schmidt, Alexandr Dibrov, Uwe Schmidt, Martin Weigert, Nicola Maghelli, Pavel Tomancak, Florian Jug, Eugene W Myers. CLIJ: GPU-accelerated ...
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