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ChEMBL – Data Lakehouse Ready 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://test.dagshub.com/DagsHub-Datasets/chembl-dataset")

fs.listdir("s3://aws-roda-hcls-datalake/chembl_29/")
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Description

ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs. This representation of ChEMBL is stored in Parquet format and most easily utilized through Amazon Athena. Follow the documentation for install instructions (< 2 minute install). New ChEMBL releases occur sporadically; the most up to date information on ChEMBL releases can be found here.

Additional information

Update frequency

Upon request. We try to keep it updated to every odd version.

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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