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The paper looks very exciting. I have a small input dataset with SMILES and an associated experimental property. Is there a simplified documentation on how I can try your algorithm to read such input and try training-testing along with my choice of property prediction performance, prediction evaluation and structure generation?
To non-expert, I am not sure how to go about trying your algorithm on my own input dataset, thanks so much. For my input, I cannot use your QM9 and drug training datasets.
Any guidance/help/code is appreciated. Thanks,
JL
The text was updated successfully, but these errors were encountered:
HI MinkaiXu,
The paper looks very exciting. I have a small input dataset with SMILES and an associated experimental property. Is there a simplified documentation on how I can try your algorithm to read such input and try training-testing along with my choice of property prediction performance, prediction evaluation and structure generation?
To non-expert, I am not sure how to go about trying your algorithm on my own input dataset, thanks so much. For my input, I cannot use your QM9 and drug training datasets.
Any guidance/help/code is appreciated. Thanks,
JL
The text was updated successfully, but these errors were encountered: