Benchmarking platform for generative models. #RDKit #Chemoinformatics #DeepLearning #moses

There are lots of publications about molecular generators. Each publication implements novel algorithms so we need tool for comparing these models that which is better for us. I often use PCA, tSNE for chemical space visualization and calculate some scores such as QED, SA/SC Score and molecular properties. However I need the unified metrics. SoContinue reading “Benchmarking platform for generative models. #RDKit #Chemoinformatics #DeepLearning #moses”

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