TY - RPRT TI - Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium AU - Qin, Shiyi AU - Jiang, Shengli AU - Li, Jianping AU - Balaprakash, Prasanna AU - Van Lehn, Reid C. AU - Zavala, Victor M. PY - 2023 DO - 10.1039/d2dd00045h UR - https://www.osti.gov/biblio/2438146 ID - 2438146 ER -