@misc{indiciae44a70f33dfba, title = {Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium}, author = {Qin, Shiyi and Jiang, Shengli and Li, Jianping and Balaprakash, Prasanna and Van Lehn, Reid C. and Zavala, Victor M.}, year = {2023}, doi = {10.1039/d2dd00045h}, url = {https://www.osti.gov/biblio/2438146}, note = {Source identifier: 2438146} }