tdcommons (Therapeutics Data Commons)

Introduced by Huang et al. in Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development

Therapeutics Data Commons is an open-science initiative with AI/ML-ready datasets and AI/ML tasks for therapeutics, spanning the discovery and development of safe and effective medicines. TDC provides an ecosystem of tools, libraries, leaderboards, and community resources, including data functions, strategies for systematic model evaluation, meaningful data splits, data processors, and molecule generation oracles. All resources are integrated via an open Python library.


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