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ORCIDMatthias Rupp
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2020 – today
- 2024
[c5]Matthias Rupp
, Jonathan Schröter, Stefan Wallentowitz:
Accelerating WebAssembly Interpreters in Embedded Systems Through Hardware-Assisted Dispatching. ARCS 2024: 207-220- [c4]Simon Rädler, Matthias Rupp, Eugen Rigger, Stefanie Rinderle-Ma:
Model-Driven Engineering for Machine Learning Code Generation using SysML. Modellierung 2024: 197-212 - [i9]Thomas Bischoff, Bastian Jäckl, Matthias Rupp:
Hydrogen under Pressure as a Benchmark for Machine-Learning Interatomic Potentials. CoRR abs/2409.13390 (2024) - 2023
- [j16]Lars Wischhof, Maximilian Kilian, Stefan Schuhbäck, Matthias Rupp, Gerta Köster:
Mobility in pedestrian communication simulations: Impact of microscopic models and solutions for integration. Comput. Commun. 212: 90-103 (2023) - [c3]Matthias Rupp, Lars Wischhof:
Evaluation of the Effectiveness of Vulnerable Road User Clustering in C-V2X Systems. COINS 2023: 1-5 - [i8]Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp:
Heat flux for semi-local machine-learning potentials. CoRR abs/2303.14434 (2023) - [i7]Simon Rädler, Matthias Rupp, Eugen Rigger, Stefanie Rinderle-Ma:
Code Generation for Machine Learning using Model-Driven Engineering and SysML. CoRR abs/2307.05584 (2023) - 2022
- [j15]Haoyan Huo, Matthias Rupp:
Unified representation of molecules and crystals for machine learning. Mach. Learn. Sci. Technol. 3(4): 45017 (2022) - [c2]Matthias Rupp, Lars Wischhof:
Prioritization for Latency Reduction in 5G MEC-Based VRU Protection Systems. WiMob 2022: 172-177 - 2021
- [i6]Matthias Rupp, Stefan Schuhbäck, Lars Wischhof:
Coupling Microscopic Mobility and Mobile Network Emulation for Pedestrian Communication Applications. CoRR abs/2109.12018 (2021) - 2020
- [i5]Marcel F. Langer, Alex Goeßmann, Matthias Rupp:
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. CoRR abs/2003.12081 (2020)
2010 – 2019
- 2019
- [i4]Zachary del Rosario, Yoolhee Kim, Matthias Rupp, Erin Antono, Julia Ling:
Assessing the Frontier: Active Learning, Model Accuracy, and Multi-objective Materials Discovery and Optimization. CoRR abs/1911.03224 (2019) - 2016
- [j14]Tobias Törnros, Bernd Resch, Matthias Rupp, Hartmut Gündra:
Geospatial Analysis of the Building Heat Demand and Distribution Losses in a District Heating Network. ISPRS Int. J. Geo Inf. 5(12): 219 (2016) - 2015
- [i3]Kevin Vu, John C. Snyder, Li Li, Matthias Rupp, Brandon F. Chen, Tarek Khelif, Klaus-Robert Müller, Kieron Burke:
Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals. CoRR abs/1501.03854 (2015) - 2014
- [j13]Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider:
Machine Learning Estimates of Natural Product Conformational Energies. PLoS Comput. Biol. 10(1) (2014) - [i2]Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Müller, Kieron Burke:
Understanding Machine-learned Density Functionals. CoRR abs/1404.1333 (2014) - 2012
- [j12]Grigorios Skolidis, Katja Hansen, Guido Sanguinetti, Matthias Rupp:
Multi-task learning for pKa prediction. J. Comput. Aided Mol. Des. 26(7): 883-895 (2012) - [j11]Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O. Anatole von Lilienfeld:
Modeling of molecular atomization energies using machine learning. J. Cheminformatics 4(S-1): 33 (2012) - [j10]Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, Gisbert Schneider:
DOGS: Reaction-Driven de novo Design of Bioactive Compounds. PLoS Comput. Biol. 8(2) (2012) - [c1]Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, O. Anatole von Lilienfeld, Klaus-Robert Müller:
Learning Invariant Representations of Molecules for Atomization Energy Prediction. NIPS 2012: 449-457 - 2011
- [j9]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j8]Matthias Rupp:
Graph kernels for chemoinformatics - a critical discussion. J. Cheminformatics 3(S-1): 8 (2011) - [j7]Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011) - [i1]John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke:
Finding Density Functionals with Machine Learning. CoRR abs/1112.5441 (2011) - 2010
- [j6]Volker Hähnke, Matthias Rupp, Mireille Krier, Friedrich Rippmann, Gisbert Schneider:
Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching. J. Comput. Chem. 31(15): 2810-2826 (2010) - [j5]Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Volodymyr V. Prokopenko, Igor V. Tetko:
OCHEM - on-line CHEmical database & modeling environment. J. Cheminformatics 2(S-1): 5 (2010) - [j4]Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider:
Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist. J. Cheminformatics 2(S-1): 27 (2010)
2000 – 2009
- 2009
- [j3]Matthias Rupp, Petra Schneider, Gisbert Schneider:
Distance phenomena in high-dimensional chemical descriptor spaces: Consequences for similarity-based approaches. J. Comput. Chem. 30(14): 2285-2296 (2009) - 2008
- [j2]Ewgenij Proschak, Matthias Rupp, Swetlana Derksen, Gisbert Schneider:
Shapelets: Possibilities and limitations of shape-based virtual screening. J. Comput. Chem. 29(1): 108-114 (2008) - 2007
- [j1]Matthias Rupp, Ewgenij Proschak, Gisbert Schneider:
Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity. J. Chem. Inf. Model. 47(6): 2280-2286 (2007)
Coauthor Index
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