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Pre trained Models

  • pQSAR: build massively multitask, two-step machine learning models with unprecedented scope, accuracy, and applicability domain
    Code Last Commit Publication

Charges

  • DASH: Prediction of QM charges
    Code Last Commit Publication

logP

  • OWPCP: OWPCP: A Deep Learning Model to Predict Octanol-Water Partition Coefficient
    Code Last Commit Publication