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Mikhail Andronov (@Academich)

Academich

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Location 🇩🇪 Germany
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reagents

Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.

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parametric_tsne_pytorch

Implementation of regular and multiscale parametric t-SNE in pytorch

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reaction_space_ptsne

Some tools to visualize the space of chemical reactions. This code is accompanying the paper: Andronov, Mikhail; Fedorov, Maxim; Sosnin, Sergey (2021): Exploring Chemical Reaction Space With Reaction Difference Fingerprints and Parametric t-SNE. Full text: https://pubs.acs.org/doi/full/10.1021/acsomega.1c04778

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