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COVID-19 Molecular Structure and Therapeutics Hub 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/molssi-covid19-hub-dataset")

fs.listdir("s3://molssi-bioexcel-covid-19-structure-therapeutics-hub")
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Description

Aggregating critical information to accelerate drug discovery for the molecular modeling and simulation community. A community-driven data repository and curation service for molecular structures, models, therapeutics, and simulations related to computational research related to therapeutic opportunities for COVID-19 (caused by the SARS-CoV-2 coronavirus).

Additional information

Update frequency

Data contributions come from external researchers and groups at a roughly weekly cadence.

Managed by

MolSSI

License

Most data will be in an open license provided by the contributing individual(s). Neither MolSSI nor BioExcel
hold the license(s) for data in the data set unless explicitly noted.

Related datasets

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Allen Cell Imaging Collections

Biological and Physical Sciences (BPS) Microscopy Benchmark Training Dataset

Cancer Cell Line Encyclopedia (CCLE)

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