20210730 Enamine HLL Lipinski Filtered One Hot Data (n=228539, t=64, f=26)
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HLL from (https://enamine.net/compound-libraries/diversity-libraries). Data has been Lipinski Filtered, rdkit charge/radical filtered, and only contains molecules that have the listed atoms. Data is one-hot encoded and also has the stoi, itos, and max_len_molec information. The filtered SELFIES list is NOT included.<br>valid_atom_lst = [ 'C', 'H', 'O', 'N', 'S', 'P', 'N', 'F', 'Cl', 'Br', 'I',]
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Frazier, Jared创建时间：
2021-07-31
