About

TorchDrug was initiated by MilaGraph to integrate recent advances in drug discovery and accelerate development, with the vision of creating an easy access to drug discovery techniques for everyone. The library is designed for machine learning practitioners to apply fundamental algorithms to drug discovery applications, with minimal efforts on domain knowledge and trivial details.

For collaboration, please send an email to torchdrug@gmail.com

Principal Investigator

Jian Tang

Jian Tang

Mila - Quebec AI Institute

Team

Zhaocheng Zhu

Zhaocheng Zhu

Mila - Quebec AI Institute

Shengchao Liu

Shengchao Liu

Mila - Quebec AI Institute

Chence Shi

Chence Shi

Mila - Quebec AI Institute

Junkun Chen

Junkun Chen

Tsinghua University

Zuobai Zhang

Zuobai Zhang

Mila - Quebec AI Institute

Meng Qu

Meng Qu

Mila - Quebec AI Institute

Louis-Pascal Xhonneux

Louis-Pascal Xhonneux

Mila - Quebec AI Institute

Minghao Xu

Minghao Xu

Shanghai Jiao Tong University

Chang Ma

Chang Ma

Peking University

Jiarui Lu

Jiarui Lu

Mila - Quebec AI Institute

Yangtian Zhang

Yangtian Zhang

Shanghai Jiao Tong University

Runcheng Liu

Runcheng Liu

Tsinghua University

Steering Committee

Yoshua Bengio

Yoshua Bengio

Mila - Quebec AI Institute

Tommi S. Jaakkola

Tommi S. Jaakkola

Massachusetts Institute of Technology

Rafael Gomez-Bombarelli

Rafael Gomez-Bombarelli

Massachusetts Institute of Technology

Michael Bronstein

Michael Bronstein

Imperial College London

Ruth Nussinov

Ruth Nussinov

National Institutes of Health

Pietro Liò

Pietro Liò

University of Cambridge

Olivier Elemento

Olivier Elemento

Cornell University

Fei Wang

Fei Wang

Cornell University

Feixiong Cheng

Feixiong Cheng

Cleveland Clinic

César de la Fuente

César de la Fuente

University of Pennsylvania

Payel Das

Payel Das

IBM Research