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LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery.

Qun Su, Hui Zhang, Qiaolin Gou,Huiyong Sun, Meijing Fang, Xujun Zhang, Renling Hu,Yu Kang, Chang-Yu Hsieh,Jike Wang,Tingjun Hou

The journal of physical chemistry letters(2025)

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