Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability - Githubissues

kntkb / technotes

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Quantum chemistry-augmented neural networks for reactivity prediction: Performance, generalizability, and explainability #16

Open kntkb opened 1 year ago

kntkb commented 1 year ago

https://aip.scitation.org/doi/10.1063/5.0079574