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"Out-of-the-box deep learning prediction of quantum-mechanical partial ..."
Dejun Jiang et al. (2022)
- Dejun Jiang, Huiyong Sun
, Jike Wang, Chang-Yu Hsieh, Yuquan Li
, Zhenxing Wu, Dong-Sheng Cao
, Jian Wu, Tingjun Hou
:
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings Bioinform. 23(2) (2022)
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