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gschottlender/LigQ_2_evaluations

LigQ2 evaluation resources Exact historical input files for the LigQ2 publication-result evaluations. This dataset is independent of the operational LigQ2 databases and does not replace them. The 20 frozen inputs occupy 2,267,375,884 bytes. Contents frozen/ contains the merged binding and SMILES tables, the original target mapping, protein sequences and BLAST rankings, and the historical PDB/ChEMBL compound store with seven precomputed molecular representations:… See the full description on the dataset page: https://huggingface.co/datasets/gschottlender/LigQ_2_evaluations.

Author / organizationgschottlender
License (as declared)other
Downloads236 (as reported by Hugging Face)
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Created3 October 2026
Last updated at source3 October 2026
chemistrybioinformaticsreproducibilityvirtual-screening
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