Compare seed of cheminformatics task between python and CPP #RDKit #cheminformatics

I’m not so good at C++ coding but RDKit supports not only python but also C++. And C++ often works faster than python. I have interest to compare the performance of cheminformatics task both languages. So today I tried to compare the performance. At first, here is a python code which is generate set of

Generate molecules with Link-invent #RDKit #RINVENT #chemoinformatics

General molecular generator with deep learning approach is difficult to fix substructure. But common SAR expansion by medchem is focus on specific part such as terminal part, core and linker. Linker is defined as a part which connect parts of molecules. Linker is important of drug design and is called scaffold when the linker connets