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Evan Spotte-Smith (they/them)
ewcss.info
did:plc:llqbczc6w5m7hnqufyzcqzhr
Congrats to Sudarshan Vijay and my other coauthors on a new Chemical Science (#ChemSci) article: "CoeffNet: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network"!
https://doi.org/10.1039/D3SC04411D #ChemSky #CompChem #MachineLearning
2024-01-22T15:31:30.463Z