Make molecule mesh data #RDKit #chemoinformatics #meshlab

I have an interest to predictive model build with 3D compound information. Pytorch3d and open3d seems attractive package for me. However, to use the package, I need to convert molecular information to 3D data such as pointcloud etc. At first I tried it to use openbabel because recent version of openbabel can convert molecule fromContinue reading “Make molecule mesh data #RDKit #chemoinformatics #meshlab”

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