GitHub repository: Academich/reaction_space_ptsne
Primary language: Jupyter Notebook
Description: 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. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.13929320.v1