1 code implementation • 14 Nov 2023 • Raffaele Fiorentini, Thomas Tarenzi, Giovanni Mattiotti, Raffaello Potestio
Molecular dynamics simulations provide a wealth of data whose in-depth analysis can be computationally demanding and, sometimes, even unnecessary.
no code implementations • 14 Jul 2020 • Federico Errica, Marco Giulini, Davide Bacciu, Roberto Menichetti, Alessio Micheli, Raffaello Potestio
The method relies on deep graph networks, which provide extreme flexibility in the input format.