Generate conformers script with rdkit #RDKit #Chemoinformatics

As you know, conformer sampling is an important task for not only SBDD but also LBDD because many drug like molecules has rotatable bonds so, they has possibility to have many conformations. And recently there are lots of tools for compound conformer generation. Jean-Paul Ebejer et al. published very useful article about conformer generation withContinue reading “Generate conformers script with rdkit #RDKit #Chemoinformatics”

Advertisement