awesome-chemistry-datasets
github.com/kjappelbaum/awesome-chemistry-datasets ↗overview of datasets for ML in chemistry
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106
Curated Resources
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Text and literatureChemical structures and spectraMolecular activity and benchmarksMolecular properties and benchmarksTarget identificationPharmacology, ADME, and metabolismGlycoscienceReactions and high-throughput screeningElectronic laboratory notebooksMaterials and solid stateRelated lists
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Installation instructions →What's inside
Electronic laboratory notebooks
Related lists
Text and literature
- 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.
Molecular activity and benchmarks
Glycoscience
Pharmacology, ADME, and metabolism
Chemical structures and spectra
Showing a sample of 106 resources. View the full list on GitHub →