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ZINC Database Dataset for Machine Learning

Install DagsHub:

pip install dagshub
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To stream this data directly on DagsHub

from dagshub.streaming import DagsHubFilesystem

fs = DagsHubFilesystem(".", repo_url="https://dagshub.com/DagsHub-Datasets/zinc15-dataset")

fs.listdir("s3://zinc3d")
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Description

3D models for molecular docking screens.

Additional information

Update frequency

Monthly

License

ZINC is free as in beer. You may not redistribute without the written permission of John Irwin

Related datasets

Allen Brain Observatory – Visual Coding AWS Public Data Set

Allen Cell Imaging Collections

Biological and Physical Sciences (BPS) Microscopy Benchmark Training Dataset

Cancer Cell Line Encyclopedia (CCLE)

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