Teng Xiao, Huaisheng Zhu, et al.
ICML 2024
With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on organic material design.
Teng Xiao, Huaisheng Zhu, et al.
ICML 2024
Shubhi Asthana, Pawan Chowdhary, et al.
KDD 2021
Brian Quanz, Wesley Gifford, et al.
INFORMS 2020
Debarghya Mukherjee, Felix Petersen, et al.
NeurIPS 2022