Multigram Training Sets

• train.smi: 36311 SMILES from WDI, NCI, ACD, SYNTH, totaling 1762189 bytes.

[48.5 bytes/mol]

• train.ism: 27451 isomeric SMILES from WDI and ACD totaling 2555727 bytes

[93.1 bytes/mol]

• train.rism: 17159 reaction SMILES from SYNTH, totaling 4927586 bytes.

[287.2 bytes/mol]

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