Eismann, Stephan
- Learning from Protein Structure with Geometric Vector Perceptrons
2020/09/03 by Bowen Jing, Jing, Bowen, Stephan Eismann +7 · 53 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Protein Structure and Dynamics
- Learning Neural PDE Solvers with Convergence Guarantees
2019/06/04 by Hsieh, Jun-Ting, Zhao, Shengjia, Eismann, Stephan +2 · 9 citations
#Computation (stat.CO) #FOS: Computer and information sciences #FOS: Mathematics #Machine Learning (stat.ML) #Numerical Analysis (math.NA)
- Equivariant Graph Neural Networks for 3D Macromolecular Structure
2021/06/07 by Jing, Bowen, Eismann, Stephan, Soni, Pratham N. +1 · 9 citations
#Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG)
- ATOM3D: Tasks On Molecules in Three Dimensions
2020/12/07 by Townshend, Raphael J. L., Vögele, Martin, Suriana, Patricia +10 · 8 citations
#Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Computational Physics (physics.comp-ph) #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
- Protein sequence-to-structure learning: Is this the end(-to-end\n revolution)?
2021/05/16 by Élodie Laine, Stephan Eismann, Laine, Elodie +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Genomics and Phylogenetic Studies #Machine Learning (cs.LG) #Machine Learning in Bioinformatics #Protein Structure and Dynamics
- Shape optimization in laminar flow with a label-guided variational autoencoder
2017/12/10 by Stephan Eismann, Eismann, Stephan, Stefan Bartzsch +3 · 1 citation
Computer Science · Engineering · #Advanced Multi-Objective Optimization Algorithms #Building Energy and Comfort Optimization #Computational Engineering #FOS: Computer and information sciences #Finance #Gaussian Processes and Bayesian Inference #Machine Learning (cs.LG) #and Science (cs.CE)