ncats/molvec

MolVec Predicted Accuracy

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Hi,

We are using the molvec from chemical structure extraction. We help some to get the predicted score or accuracy value. How we get the predicted score or accuracy after extraction.

Thanks for the issue. We have a rudimentary implementation of this in a separate branch. It hasn't been well-validated yet. Can you let us know how you would use this in your application? This would help us with our validation.