5 citations · 15 across the 19 of their papers we have counts for
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cs.LG2023★ 1 cited
ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction
Yaorui Shi, An Zhang, Enzhi Zhang +2
Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably tho…
cs.LG2023★ 5 cited
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules
Zhiyuan Liu, Yaorui Shi, An Zhang +4
Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three ke…