| TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations RP Pelaez, G Simeon, R Galvelis, A Mirarchi, P Eastman, S Doerr, ... Journal of Chemical Theory and Computation, 2024 | 18 | 2024 |
| Machine learning for efficient prediction of protein redox potential: The flavoproteins case BG Galuzzi, A Mirarchi, EL Viganò, L De Gioia, C Damiani, F Arrigoni Journal of Chemical Information and Modeling 62 (19), 4748-4759, 2022 | 14 | 2022 |
| mdcath: A large-scale md dataset for data-driven computational biophysics A Mirarchi, T Giorgino, G De Fabritiis Scientific Data 11 (1), 1299, 2024 | 2 | 2024 |
| Amaro: all heavy-atom transferable neural network potentials of protein thermodynamics A Mirarchi, RP Peláez, G Simeon, G De Fabritiis Journal of Chemical Theory and Computation 20 (22), 9871-9878, 2024 | 2 | 2024 |
| On the Inclusion of Charge and Spin States in Cartesian Tensor Neural Network Potentials G Simeon, A Mirarchi, RP Pelaez, R Galvelis, G De Fabritiis arXiv preprint arXiv:2403.15073, 2024 | 2 | 2024 |