Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium

Shiyi Qin, Shengli Jiang, Jianping Li, Prasanna Balaprakash, Reid C. Van Lehn, Victor M. Zavala

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

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Computer Science

Biochemistry, Genetics and Molecular Biology