pytdc

SKILL.md

PyTDC is an open-science platform providing AI-ready datasets and benchmarks for drug discovery and development. Access curated datasets spanning the entire therapeutics pipeline with standardized evaluation metrics and meaningful data splits, organized into three categories: single-instance prediction (molecular/protein properties), multi-instance prediction (drug-target interactions, DDI), and generation (molecu...

Additional packages are installed automatically as needed for specific features.

The basic pattern for accessing any TDC dataset follows this structure:

Therapeutische Data Commons. KI-fähige Datensätze zur Arzneimittelentdeckung (ADME, Toxizität, DTI), Benchmarks, Gerüstaufteilungen, molekulare Orakel für therapeutisches ML und pharmakologische Vorhersagen. Quelle: jackspace/claudeskillz.

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