How long does it take to predict ligand binding sites for all 220k proteins in the PDB? P2Rank 2.5 does it in 3 hours on a single CPU (16-core amd 5950x)—2x faster than the previous version 🚀.
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Comments
But does prediction speed matter? 🤔 It depends. In most cases, probably not. After all, if you have only a few structures, it’s worth waiting for more accurate predictions.
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Benchmark: https://doi.org/10.1186/s13321-024-00923-z
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Animation credit: @javierutges.bsky.social
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