smi2sdf3d：使用rdkit进行3D多样化构象生成

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 Chemical Information and Modeling}, volume = {52}, number = {5}, pages = {1146--1158}, year = {2012}, url = {https://doi.org/10.1021/ci2004658}, doi = {10.1021/