Machine-learned molecular mechanics force fields from large-scale quantum chemical data.
| Autor: | Kenichiro Takaba, Friedman, Anika J., Cavender, Chapin E., Behara, Pavan Kumar, Pulido, Iván, Henry, Michael M., MacDermott-Opeskin, Hugo, Iacovella, Christopher R., Nagle, Arnav M., Payne, Alexander Matthew, Shirts, Michael R., Mobley, David L., Chodera, John D., Yuanqing Wang |
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| Zdroj: | Chemical Science; 8/28/2024, Vol. 15 Issue 32, p12861-12878, 18p |
| Databáze: | Complementary Index |
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