pytdc
K-Dense-AI/scientific-agent-skills
PyTDC (Therapeutics Data Commons) is an open-science platform providing standardized, AI-ready datasets and benchmarks for drug discovery and development. It supports three core types of tasks: single-instance prediction (e.g., ADME, toxicity), multi-instance prediction (e.g., DDI, DTI), and novel molecule generation. It is essential for benchmarking and developing therapeutic machine learning models.