Andreas Krämer
- Coarse graining molecular dynamics with graph neural networks
2020/11/16 by Brooke E. Husic, Nicholas E. Charron, Dominik Lemm +9 · 47 citations
Materials Science · Engineering · #Machine Learning in Materials Science #Block Copolymer Self-Assembly #Surface Chemistry and Catalysis
- Navigating protein landscapes with a machine-learned transferable coarse-grained model
2023/10/27 by Nicholas E. Charron, Charron, Nicholas E., Klara Bonneau +40 · 3 voices · 25 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Mathematics · Physics and Astronomy · #Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Block Copolymer Self-Assembly #Chemical Physics (physics.chem-ph) #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML) #Machine Learning in Materials Science #Protein Structure and Dynamics #physics.bio-ph #physics.chem-ph #q-bio.BM #stat.ML
- Equivariant flow matching
2023/06/26 by Leon Klein, Klein, Leon, Andreas Krämer +3 · 27 citations
Computer Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Computational Physics and Python Applications #FOS: Computer and information sciences #FOS: Physical sciences #Generative Adversarial Networks and Image Synthesis #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Topic Modeling
- OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
2023/12/28 by Peter Eastman, Raimondas Galvelis, Raúl P. Peláez +22 · 1 voice · 20 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Enzyme Structure and Function #Machine Learning in Materials Science #Protein Structure and Dynamics
- OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
2023/10/04 by Peter Eastman, Raimondas Galvelis, Eastman, Peter +44 · 19 citations
Materials Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Machine Learning in Materials Science #Protein Structure and Dynamics #Scientific Computing and Data Management
- Smooth Normalizing Flows
2021/10/01 by Jonas Köhler, Köhler, Jonas, Andreas Krämer +3 · 5 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Gaussian Processes and Bayesian Inference #Generative Adversarial Networks and Image Synthesis #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Protein Structure and Dynamics
- Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics
2023/02/14 by Andreas Krämer, Krämer, Andreas, Aleksander P. Durumeric +9 · 4 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Biological Physics (physics.bio-ph) #Block Copolymer Self-Assembly #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML) #Machine Learning in Materials Science #Protein Structure and Dynamics
- Stochastic approximation to MBAR and TRAM: batch-wise free energy estimation
2022/09/29 by Maaike M. Galama, Galama, Maaike M., Hao Wu +7 · 1 citation
Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Thermodynamics and Statistical Mechanics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies
- Specificity of Balance Training in Healthy Individuals: A Systematic Review and Meta-Analysis
2016/03/18 by Jakob Kümmel, Andreas Kramer, Andreas Krämer +4 · 1 citation
Health Professions · Medicine · #Balance, Gait, and Falls Prevention #Foot and Ankle Surgery #Cerebral Palsy and Movement Disorders