Frauke Gräter
- Grappa -- A Machine Learned Molecular Mechanics Force Field
2024/03/25 by Leif Seute, Eric Hartmann, Seute, Leif +5 · 6 citations
Chemistry · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Various Chemistry Research Topics
- Generating Highly Designable Proteins with Geometric Algebra Flow Matching
2024/11/07 by Simon Wagner, Wagner, Simon, Leif Seute +9 · 3 voices · 4 citations
#cs.LG #stat.ML
- Coarse-grained simulations of long intrinsically disordered proteins: a benchmark of Martini 3 force-fields
2026/07/17 by Christina Goss, Camilo Aponte‐Santamaría, Frauke Gräter · 1 voice
Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · Environmental Science · #Protein Structure and Dynamics #Force Microscopy Techniques and Applications #Bacteriophages and microbial interactions