Today I tried to build rdkit/shape-it because I could not build shape-it with current version of rdkit. So I struggled error message to fix the issue.(I’m not so good at C++ ;P) There are two issues in the current code.1. Version of c++ in the CMakeLists.txt is old, so I changed it from c++14 toContinue reading “Update rdkit/shape-it #RDKit #shape-it #cheminformatics”
Tag Archives: C++
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 ofContinue reading “Compare seed of cheminformatics task between python and CPP #RDKit #cheminformatics”
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