| TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials P Thölke, G De Fabritiis International Conference on Learning Representations (ICLR), 2022 | 134 | 2022 |
| Machine learning coarse-grained potentials of protein thermodynamics M Majewski, A Pérez, P Thölke, S Doerr, NE Charron, T Giorgino, ... Nature Communications 14 (1), 5739, 2023 | 26 | 2023 |
| Class imbalance should not throw you off balance: Choosing classifiers and performance metrics for brain decoding with imbalanced data P Thölke, YJM Ramos, H Abdelhedi, C Maschke, A Dehgan, Y Harel, ... NeuroImage, 2023 | 23 | 2023 |
| Neuro-GPT: Developing A Foundation Model for EEG W Cui, W Jeong, P Thölke, T Medani, K Jerbi, AA Joshi, RM Leahy arXiv preprint arXiv:2311.03764, 2023 | 4 | 2023 |
| TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations RP Pelaez, G Simeon, R Galvelis, A Mirarchi, P Eastman, S Doerr, ... arXiv preprint arXiv:2402.17660, 2024 | 2 | 2024 |
Gianni De FabritiisComputational Science Laboratory, Icrea Research Professor, Acellera twitter:@gdefabritiisVerified email at upf.edu
