Generating Graphs from SMILES for a Custom Dataset using Pytorch Geometric - Part 2

Описание: In this video, I have talked about how you can generate graphs from SMILES strings of molecules for a custom dataset and how you can analyze the graph using pytorch geometric and networkx.

#cheminformatics #bioinformatics #drugdiscovery #smiles #pytorch #pytorchgeometric #machinelearning #chemistry #lipophilicity #pharmaceutical #crossvalidation #graphneuralnetwork
#datascience

Link to the code: https://github.com/codetodiscovery/Li...