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Direct Molecular Conformation Generation.
Jinhua Zhu
Yingce Xia
Chang Liu
Lijun Wu
Shufang Xie
Yusong Wang
Tong Wang
Tao Qin
Wengang Zhou
Houqiang Li
Haiguang Liu
Tie-Yan Liu
Published in:
Trans. Mach. Learn. Res. (2022)
Keyphrases
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protein structure prediction
protein structure
databases
fine grained
generation process
generation algorithm
drug design
molecular structures