awesome-chemistry-datasets
github.com/kjappelbaum/awesome-chemistry-datasets ↗overview of datasets for ML in chemistry
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text datasetsstructuresmolecular activity prediction benchmark datsetsml structure-property benchmark datasetsTarget identification dataPharmacology & ADME & Metabolismreactionshigh-throughput screening dataeln data
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Installation instructions →What's inside
text datasets
- BC5CDR
- BioCreative V
- BioRxiv XML
Bulk access to the full text of bioRxiv articles for the purposes of text and data mining (TDM) is available via a dedicated Amazon S3 resource.
- ChemTables
- Elsevier Corpus
- Europe PMC
Bulk download of full text and SI of > 5 million articles.
Pharmacology & ADME & Metabolism
high-throughput screening data
molecular activity prediction benchmark datsets
Target identification data
Showing a sample of 80 resources. View the full list on GitHub →