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A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function.

Zechen WangLiangzhen ZhengSheng WangMingzhi LinZhihao WangAdams Wai-Kin KongYuguang MuYanjie WeiWeifeng Li
Published in: Briefings Bioinform. (2023)
Keyphrases
  • deep learning
  • scoring function
  • data sets
  • bayesian networks
  • feature space
  • semi supervised learning