PyTDC

A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models

Key Presentations and Publications

  • PyTDC: A multimodal machine learning training, evaluation, and inference platform for biomedical foundation models. Forty-second International Conference on Machine Learning (ICML 2025) [Paper]

  • Signals in the Cells: Multimodal and Contextualized Machine Learning Foundations for Therapeutics. (Spotlight) NeurIPS 2024 Workshop on AI for New Drug Modalities [Paper] [Poster]

  • (Seminar) Signals in the Cells: Multimodal and Contextualized Machine Learning Foundations for Therapeutics. Western Bioinformatics Seminar Series: Alejandro Velez-Arce [Event]

  • TDC-2: Multimodal Foundation for Therapeutic Science. Molecular Machine Learning Conference (MoML2024). Hosted at Mila Agora on June 19th [Paper] [Conference] [Poster and Tweet]

Intuitive Interface

TDC software is minimally dependent on external packages. Any TDC dataset can be retrieved with just 3 lines of code.

From Bench to Bedside

TDC covers a wide range of learning tasks, including target discovery, activity screening, efficacy, safety, and manufacturing across biomedical products, including small molecules, antibodies, and vaccines.

Numerous Data Functions

TDC provides extensive data functions, including data evaluators, meaningful data splits, data processors, and molecule generation oracles.