HongxinXiang / ImageMol

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
https://www.nature.com/articles/s42256-022-00557-6
MIT License
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tsne of molecular representation #11

Open ghost opened 1 year ago

ghost commented 1 year ago

hello @HongxinXiang , i want to plot the tsne figure of molecular representations, but my result is odd, i don't know where i make mistakes, can you show me an example of plotting such a figure, like using the 3CL dataset? I am looking forward to your answer.