jablonkagroup/odd_one_out

Dataset Details Dataset Description Tanimoto distance between Morgan fingerprints of SMILES in the ZINC dataset. We performed filtering to exclude sequences of molecules where there is no strong difference. Curated by: License: MIT Dataset Sources No links provided Citation BibTeX: @article{Irwin_2020, doi = {10.1021/acs.jcim.0c00675}, url = {https://doi.org/10.1021%2Facs.jcim.0c00675}, year = 2020, month = {oct}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/odd_one_out.