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收藏Scaffold-aware benchmarking of GCN and GIN for DFT-derived molecular Gibbs energy in traditional Chinese medicine molecules针对中药分子的DFT衍生分子吉布斯能,基于骨架感知的GCN和GIN基准测试
Chen, Hongtao; Qian, Lili; Ji, Yuchen; Zhang, Mengjian; Li, Xiong; Zhou, Zuojian; Xie, Jiadong; Hu, Chenjun; Hu, Kongfa; Yang, Tao
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