Philipp Thölke

1. TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials
   2022/02/05 by Philipp Thölke, Thölke, Philipp, Gianni De Fabritiis +1 · 23 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
2. Neuro-GPT: Towards A Foundation Model for EEG
   2023/11/07 by Wenhui Cui, Woojae Jeong, Cui, Wenhui +11 · 1 voice · 18 citations
   Computer Science · Engineering · #FOS: Computer and information sciences #FOS: Electrical engineering #Machine Learning (cs.LG) #Signal Processing (eess.SP) #cs.LG #eess.SP #electronic engineering #information engineering
3. Divergent Creativity in Humans and Large Language Models
   2024/05/13 by Antoine Bellemare-Pepin, François Lespinasse, Bellemare-Pepin, Antoine +13 · 8 citations
   Psychology · #Creativity in Education and Neuroscience
4. Class imbalance should not throw you off balance: Choosing the right classifiers and performance metrics for brain decoding with imbalanced data
   2023/06/27 by Philipp Thölke, Yorguin-Jose Mantilla-Ramos, Yorguin-José Mantilla-Ramos +17 · 5 citations
   Computer Science · Engineering · #Imbalanced Data Classification Techniques #Electricity Theft Detection Techniques #Blind Source Separation Techniques
5. Machine learning coarse-grained potentials of protein thermodynamics
   2023/09/15 by Maciej Majewski, Adrià Pérez, Philipp Thölke +7 · 1 voice · 3 citations
   Materials Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Protein Structure and Dynamics #Enzyme Structure and Function
6. Speak to a Protein: An Interactive Multimodal Co-Scientist for Protein Analysis
   2025/10/01 by Carles Navarro, Mariona Torrens, M. Torrens +8 · 3 voices
   Materials Science · Computer Science · Decision Sciences · #Machine Learning in Materials Science #Data Visualization and Analytics #Scientific Computing and Data Management