lcmd-epfl / EquiReact

Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geometric Deep Learning for Chemical Reactions", J. Chem. Inf. Model. 2024, 64, 5771−5785
20Updated 6 months ago

Alternatives and similar repositories for EquiReact:

Users that are interested in EquiReact are comparing it to the libraries listed below