kjappelbaum / awesome-chemistry-datasets

overview of datasets for ML in chemistry
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add MoleculeACE benchmark datasets and MPCD datasets in molecular activity prediction #71

Closed shenwanxiang closed 10 months ago

shenwanxiang commented 10 months ago

MoleculeACE benchmark datasets:https://github.com/molML/MoleculeACE MPCD datasets: https://github.com/bidd-group/MPCD/tree/main