טוען...
Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural network
Atomic and molecular properties could be evaluated from the fundamental Schrodinger’s equation and therefore represent different modalities of the same quantum phenomena. Here, we present AIMNet, a modular and chemically inspired deep neural network potential. We used AIMNet with multitarget trainin...
שמור ב:
| הוצא לאור ב: | Sci Adv |
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| Main Authors: | , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
American Association for the Advancement of Science
2019
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6688864/ https://ncbi.nlm.nih.gov/pubmed/31448325 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.aav6490 |
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