Stuttgart Center for Simulation Science (SC SimTech)

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31 to 40 of 293 Results

Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3' Nov 7, 2024 - PN 3-11 Korn, Viktoria Helena; Pluhackova, Kristyna, 2024, "Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'", https://doi.org/10.18419/DARUS-4474, DaRUS, V1 Simulation files, molecular structures and trajectories, and jupyter notebooks used for analysis underlaying our publication on membrane insertion of monomeric gasdermin D to E. coli polar lipid extract (PLE). In detail: charmm36-july2017.ff simulation directory for GROMACS 202X used and useful gromacs files (topologies and mdp files) jupyter noteb...
Code and Data for: Better by default: Strong pre-tuned MLPs and boosted trees on tabular data [NeurIPS, arXiv v2] Nov 5, 2024 - PN 6-3 Holzmüller, David; Grinsztajn, Léo; Steinwart, Ingo, 2024, "Code and Data for: Better by default: Strong pre-tuned MLPs and boosted trees on tabular data [NeurIPS, arXiv v2]", https://doi.org/10.18419/DARUS-4555, DaRUS, V1 This dataset contains code and data for our paper "Better by default: Strong pre-tuned MLPs and boosted trees on tabular data", specifically, the NeurIPS version which is also the second version on arXiv. The main code is provided in pytabkit_code.zip and contains further documentation in README.md and the docs folder. The main code is also provide...
Models and Prepared Datasets for Modeling Heat Plumes of Heat Pumps with varying Flow Directions Nov 5, 2024 - Surrogate models for groundwater flow simulations Miliczek, Pascal, 2024, "Models and Prepared Datasets for Modeling Heat Plumes of Heat Pumps with varying Flow Directions", https://doi.org/10.18419/DARUS-4530, DaRUS, V1 Prepared datasets and models for modeling orientational variation in heat plume prediction in groundwater. Models were trained with 1HP NN equivariance. File name explanation: 4d The (used) dataset encompasses only cardinal flow directions. rd The (used) dataset encompasses random flow directions in the 2D plane. 1000dp The (used) dataset consists...
Raw Data for Modeling Heat Plumes of Heat Pumps with varying Flow Directions Nov 5, 2024 - Surrogate models for groundwater flow simulations Pelzer, Julia, 2024, "Raw Data for Modeling Heat Plumes of Heat Pumps with varying Flow Directions", https://doi.org/10.18419/DARUS-4531, DaRUS, V1 Raw datasets for modeling orientational variation in heat plume prediction in groundwater. Used with 1HP NN equivariance. File name explanation: 4d The dataset encompasses only cardinal flow directions. rd The dataset encompasses random flow directions in the 2D plane. 1000dp The dataset consists of 1000 data points.
A Data Set for Research on Differential-Drive Mobile Robots in the Context of EDMD Oct 21, 2024 - PN 4-4 Rosenfelder, Mario; Eschmann, Hannes; Eberhard, Peter; Ebel, Henrik, 2024, "A Data Set for Research on Differential-Drive Mobile Robots in the Context of EDMD", https://doi.org/10.18419/DARUS-4538, DaRUS, V1 General This dataset contains real-world measurement data for data-based modeling of a differential-drive robot. The dataset is especially tailored for data-based modeling using Extended Dynamic Mode Decomposition (EDMD) for control-affine systems. It contains predecessor and successor pose data of the wheeled mobile robot (i.e., its position in th...
Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials Oct 8, 2024 - PN 3-10 Xu, Xiang, 2024, "Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials", https://doi.org/10.18419/DARUS-4480, DaRUS, V1 Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials", https://doi.org/10.1016/j.actamat.2024.120423. This data set contains: 1) the utilized moment-tensor-potentials (MTP) and the corresponding training sets; 2) The atomistic structure of 2delta Kear-Wilsdor...
Models and Prepared Datasets for LG-CNN Sep 17, 2024 - Surrogate models for groundwater flow simulations Pelzer, Julia, 2024, "Models and Prepared Datasets for LG-CNN", https://doi.org/10.18419/DARUS-4467, DaRUS, V2 Models trained with Heat Plume Prediction and datasets prepared with Heat Plume Prediction into reasonable format, reduced set of in/outputs, 2D, normalization used to train these models. Last relevant git commit: cae87d68faf96b2bd8dab935. Based on raw data from doi:darus-4156.
Datasets: 6 Heat Pumps, Simulation - Raw + Prepared Sep 13, 2024 - Surrogate models for groundwater flow simulations Pelzer, Julia, 2024, "Datasets: 6 Heat Pumps, Simulation - Raw + Prepared", https://doi.org/10.18419/DARUS-4473, DaRUS, V1 This dataset serves as training data for modeling the temperature field emanating from several open loop groundwater heat pumps (six heat pumps, randomly placed). It is simulated with Pflotran and stored in h5 format. The two datasets contain 1000 and additional 4000 data points. Each data point consists of one simulation run until a near steady st...
Database for: Documenting Research in Simulation Science to Enhance Understanding for Reusability Sep 13, 2024 - Projects without PN Affiliation Hermann, Sibylle, 2024, "Database for: Documenting Research in Simulation Science to Enhance Understanding for Reusability", https://doi.org/10.18419/DARUS-4142, DaRUS, V1, UNF:6:mhHYSODfUq/dE3D6o/V/ww== [fileUNF] Replication Data for an analysis of research articles from computational mechanics, all using the software Pasimodo https://www.itm.uni-stuttgart.de/en/software/pasimodo/ Categories for analysing the articles: To understand the context of the citation, we classified the citations into referring and reuse. Where referring is meant to be, when a cita...
Raw Simulation Datasets for Extending Heat Plumes Sep 10, 2024 - Surrogate models for groundwater flow simulations Pelzer, Julia, 2024, "Raw Simulation Datasets for Extending Heat Plumes", https://doi.org/10.18419/DARUS-4133, DaRUS, V2 These data sets serve as training and testing data for modelling the extension of temperature field emanating from one groundwater heat pump. There are simulated with Pflotran and saved in h5 format. The data set for training is called "dataset_medium_k_3e-10_1000dp". It contains 999 simulation runs, each simulated until a near steady state is reac...

Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'

Nov 7, 2024 - PN 3-11

Korn, Viktoria Helena; Pluhackova, Kristyna, 2024, "Supplementary Data for 'Vastly different energy landscapes of the membrane insertions of monomeric gasdermin D and A3'", https://doi.org/10.18419/DARUS-4474, DaRUS, V1

Simulation files, molecular structures and trajectories, and jupyter notebooks used for analysis underlaying our publication on membrane insertion of monomeric gasdermin D to E. coli polar lipid extract (PLE). In detail: charmm36-july2017.ff simulation directory for GROMACS 202X used and useful gromacs files (topologies and mdp files) jupyter noteb...

Code and Data for: Better by default: Strong pre-tuned MLPs and boosted trees on tabular data [NeurIPS, arXiv v2]

Nov 5, 2024 - PN 6-3

Holzmüller, David; Grinsztajn, Léo; Steinwart, Ingo, 2024, "Code and Data for: Better by default: Strong pre-tuned MLPs and boosted trees on tabular data [NeurIPS, arXiv v2]", https://doi.org/10.18419/DARUS-4555, DaRUS, V1

This dataset contains code and data for our paper "Better by default: Strong pre-tuned MLPs and boosted trees on tabular data", specifically, the NeurIPS version which is also the second version on arXiv. The main code is provided in pytabkit_code.zip and contains further documentation in README.md and the docs folder. The main code is also provide...

Models and Prepared Datasets for Modeling Heat Plumes of Heat Pumps with varying Flow Directions

Nov 5, 2024 - Surrogate models for groundwater flow simulations

Miliczek, Pascal, 2024, "Models and Prepared Datasets for Modeling Heat Plumes of Heat Pumps with varying Flow Directions", https://doi.org/10.18419/DARUS-4530, DaRUS, V1

Prepared datasets and models for modeling orientational variation in heat plume prediction in groundwater. Models were trained with 1HP NN equivariance. File name explanation: 4d The (used) dataset encompasses only cardinal flow directions. rd The (used) dataset encompasses random flow directions in the 2D plane. 1000dp The (used) dataset consists...

Raw Data for Modeling Heat Plumes of Heat Pumps with varying Flow Directions

Nov 5, 2024 - Surrogate models for groundwater flow simulations

Pelzer, Julia, 2024, "Raw Data for Modeling Heat Plumes of Heat Pumps with varying Flow Directions", https://doi.org/10.18419/DARUS-4531, DaRUS, V1

Raw datasets for modeling orientational variation in heat plume prediction in groundwater. Used with 1HP NN equivariance. File name explanation: 4d The dataset encompasses only cardinal flow directions. rd The dataset encompasses random flow directions in the 2D plane. 1000dp The dataset consists of 1000 data points.

A Data Set for Research on Differential-Drive Mobile Robots in the Context of EDMD

Oct 21, 2024 - PN 4-4

Rosenfelder, Mario; Eschmann, Hannes; Eberhard, Peter; Ebel, Henrik, 2024, "A Data Set for Research on Differential-Drive Mobile Robots in the Context of EDMD", https://doi.org/10.18419/DARUS-4538, DaRUS, V1

General This dataset contains real-world measurement data for data-based modeling of a differential-drive robot. The dataset is especially tailored for data-based modeling using Extended Dynamic Mode Decomposition (EDMD) for control-affine systems. It contains predecessor and successor pose data of the wheeled mobile robot (i.e., its position in th...

Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

Oct 8, 2024 - PN 3-10

Xu, Xiang, 2024, "Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials", https://doi.org/10.18419/DARUS-4480, DaRUS, V1

Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials", https://doi.org/10.1016/j.actamat.2024.120423. This data set contains: 1) the utilized moment-tensor-potentials (MTP) and the corresponding training sets; 2) The atomistic structure of 2delta Kear-Wilsdor...

Models and Prepared Datasets for LG-CNN

Sep 17, 2024 - Surrogate models for groundwater flow simulations

Pelzer, Julia, 2024, "Models and Prepared Datasets for LG-CNN", https://doi.org/10.18419/DARUS-4467, DaRUS, V2

Models trained with Heat Plume Prediction and datasets prepared with Heat Plume Prediction into reasonable format, reduced set of in/outputs, 2D, normalization used to train these models. Last relevant git commit: cae87d68faf96b2bd8dab935. Based on raw data from doi:darus-4156.

Datasets: 6 Heat Pumps, Simulation - Raw + Prepared

Sep 13, 2024 - Surrogate models for groundwater flow simulations

Pelzer, Julia, 2024, "Datasets: 6 Heat Pumps, Simulation - Raw + Prepared", https://doi.org/10.18419/DARUS-4473, DaRUS, V1

This dataset serves as training data for modeling the temperature field emanating from several open loop groundwater heat pumps (six heat pumps, randomly placed). It is simulated with Pflotran and stored in h5 format. The two datasets contain 1000 and additional 4000 data points. Each data point consists of one simulation run until a near steady st...

Database for: Documenting Research in Simulation Science to Enhance Understanding for Reusability

Sep 13, 2024 - Projects without PN Affiliation

Hermann, Sibylle, 2024, "Database for: Documenting Research in Simulation Science to Enhance Understanding for Reusability", https://doi.org/10.18419/DARUS-4142, DaRUS, V1, UNF:6:mhHYSODfUq/dE3D6o/V/ww== [fileUNF]

Replication Data for an analysis of research articles from computational mechanics, all using the software Pasimodo https://www.itm.uni-stuttgart.de/en/software/pasimodo/ Categories for analysing the articles: To understand the context of the citation, we classified the citations into referring and reuse. Where referring is meant to be, when a cita...

Raw Simulation Datasets for Extending Heat Plumes

Sep 10, 2024 - Surrogate models for groundwater flow simulations

Pelzer, Julia, 2024, "Raw Simulation Datasets for Extending Heat Plumes", https://doi.org/10.18419/DARUS-4133, DaRUS, V2

These data sets serve as training and testing data for modelling the extension of temperature field emanating from one groundwater heat pump. There are simulated with Pflotran and saved in h5 format. The data set for training is called "dataset_medium_k_3e-10_1000dp". It contains 999 simulation runs, each simulated until a near steady state is reac...

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