smi2sdf3d 使用rdkit进行3D多样化构象生成 算法和参数来自: @article{DBLP:journals/jcisd/EbejerMD12, author = {Jean{-}Paul Ebejer and Garrett M. Morris and Charlotte M. Deane}, title = {Freely Available Conformer Generation Methods: How Good Are They?}, journal = {Journal of
