Grassy dit #3
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…ved it as smiles to fit the pipeline
…ors module; all 12 molecular properties now computed successfully for ZINC12K dataset with statistics
…NC12K dataset now includes 13 properties
…ith 13 properties and improving 2 mild ineeficincies in load zinc.. related to this training
… properites (no need to hardcode it anymore)
shaulTol
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adjustments to the DiT frame work and some modifications to run grassy on ZINC12K