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:

治療數據共享。 AI 就緒藥物發現數據集（ADME、毒性、DTI）、基準、支架分割、分子預言，用於治療性 ML 和藥理學預測。 來源：ovachiever/droid-tings。

查看原文