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20132025
most citedTowards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements

450 citations · 532 across the 9 of their papers we have counts for

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cs.LG2020★ 4 cited

Data Transfer Approaches to Improve Seq-to-Seq Retrosynthesis

Katsuhiko Ishiguro, Kazuya Ujihara, Ryohto Sawada +2

Retrosynthesis is a problem to infer reactant compounds to synthesize a given product compound through chemical reactions. Recent studies on retrosynthesis focus on proposing more…