Contextual Molecule Representation Learning from Chemical Reaction Knowledge
Published in Arxiv, 2024
A pre-trained molecular encoder that incorporates chemical reaction knowledge to learn contextual molecule representations.
Recommended citation: Han Tang, Shikun Feng, Bicheng Lin, Yuyan Ni, Jingjing Liu, Wei-Ying Ma, & Yanyan Lan. (2024). Contextual Molecule Representation Learning from Chemical Reaction Knowledge. arXiv:2402.13779 [cs.LG]. https://arxiv.org/pdf/2402.13779.pdf