EXC 2075 Project Networks

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Subject: Physics Author Affiliation: Universität Stuttgart

1 to 10 of 15 Results

Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers Dec 15, 2023 - PN 2-3B Santana Chacon, Pablo Filipe; Hammer, Maria; Wochner, Isabell; Walter, Johannes R.; Schmitt, Syn, 2023, "Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers", https://doi.org/10.18419/darus-3796, DaRUS, V1 This code/data allows you reproduce the results of the paper: "A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers" by P. F. S. Chacon, M. Hammer, I. Wochner, J. R. Walter and S. Schmitt. Always cite the...
Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants." Jul 18, 2023 - BLinK Schlaich, Alexander, 2023, "Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."", https://doi.org/10.18419/darus-2360, DaRUS, V1 Simulation input scripts to produce the data presented in the manuscript "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants." All simulations were carried out using the GROMACS simulation package. The folders contain...
Supplementary Material for 'Entropic barrier of water permeation through single-file channels' Jun 30, 2023 - PN 3-11 Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/darus-3390, DaRUS, V1 Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in h...
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems May 26, 2023 - Materials Design Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1 Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials Feb 20, 2023 - PN 6 Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1 Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint...
MPC/OC Code for: Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks Dec 16, 2022 - demoa Wochner, Isabell; Schmitt, Syn, 2022, "MPC/OC Code for: Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks", https://doi.org/10.18419/darus-3268, DaRUS, V1 This code allows you reproduce the optimal control and model predictive control results of the paper: "Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks" by Isabell Wochner, Pierre Schumacher, Georg Martius, Dieter Büchler, Syn Schmitt an...
demoa-base: a biophysics simulator for muscle-driven motion Nov 30, 2022 - demoa Schmitt, Syn, 2022, "demoa-base: a biophysics simulator for muscle-driven motion", https://doi.org/10.18419/darus-2550, DaRUS, V4 For more information, such as installation, requirements and user guide, please see the demoa-manual.pdf
gspine: A Human Spine Model Built Using Literature Data Oct 6, 2022 - demoa Hammer, Maria; Riede, Julia Maria; Meszaros-Beller, Laura; Schmitt, Syn, 2022, "gspine: A Human Spine Model Built Using Literature Data", https://doi.org/10.18419/darus-2814, DaRUS, V3 A fully articulating human spine model parametrised using generic literature data for the geometry of the skeleton including attachment points for ligaments and muscles. The model is prepared to run muscle-driven simulation using a simple biological motor control model. The file...
Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' Aug 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering Zimmermann, Nils Edvin Richard; Guevara-Carrion, Gabriela; Vrabec, Jadran; Hansen, Niels, 2022, "Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'", https://doi.org/10.18419/darus-2996, DaRUS, V2 Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Adv. Theory Simul., 2022) containing scripts, packages, and files to re-create and...
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' May 4, 2022 - Institute of Thermodynamics and Thermal Process Engineering Fleck, Maximilian; Markthaler, Daniel; Stankiewicz, Bartosz; Hansen, Niels, 2022, "Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'", https://doi.org/10.18419/darus-2132, DaRUS, V1, UNF:6:8wyFNcxoOTcKA+4ZpSWLAg== [fileUNF] Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mention...

Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers

Dec 15, 2023 - PN 2-3B

Santana Chacon, Pablo Filipe; Hammer, Maria; Wochner, Isabell; Walter, Johannes R.; Schmitt, Syn, 2023, "Replication Data for: A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers", https://doi.org/10.18419/darus-3796, DaRUS, V1

This code/data allows you reproduce the results of the paper: "A physiologically enhanced muscle spindle model: using a Hill-type model for extrafusal fibers as template for intrafusal fibers" by P. F. S. Chacon, M. Hammer, I. Wochner, J. R. Walter and S. Schmitt. Always cite the...

Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."

Jul 18, 2023 - BLinK

Schlaich, Alexander, 2023, "Material for the paper "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants."", https://doi.org/10.18419/darus-2360, DaRUS, V1

Simulation input scripts to produce the data presented in the manuscript "The possible role of lipid bilayer properties in the evolutionary disappearance of betaine lipids in seed plants." All simulations were carried out using the GROMACS simulation package. The folders contain...

Supplementary Material for 'Entropic barrier of water permeation through single-file channels'

Jun 30, 2023 - PN 3-11

Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/darus-3390, DaRUS, V1

Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in h...

Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems

May 26, 2023 - Materials Design

Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1

Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f...

Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials

Feb 20, 2023 - PN 6

Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1

Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint...

MPC/OC Code for: Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks

Dec 16, 2022 - demoa

Wochner, Isabell; Schmitt, Syn, 2022, "MPC/OC Code for: Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks", https://doi.org/10.18419/darus-3268, DaRUS, V1

This code allows you reproduce the optimal control and model predictive control results of the paper: "Learning with Muscles: Benefits for Data-Efficiency and Robustness in Anthropomorphic Tasks" by Isabell Wochner, Pierre Schumacher, Georg Martius, Dieter Büchler, Syn Schmitt an...

demoa-base: a biophysics simulator for muscle-driven motion

Nov 30, 2022 - demoa

Schmitt, Syn, 2022, "demoa-base: a biophysics simulator for muscle-driven motion", https://doi.org/10.18419/darus-2550, DaRUS, V4

For more information, such as installation, requirements and user guide, please see the demoa-manual.pdf

gspine: A Human Spine Model Built Using Literature Data

Oct 6, 2022 - demoa

Hammer, Maria; Riede, Julia Maria; Meszaros-Beller, Laura; Schmitt, Syn, 2022, "gspine: A Human Spine Model Built Using Literature Data", https://doi.org/10.18419/darus-2814, DaRUS, V3

A fully articulating human spine model parametrised using generic literature data for the geometry of the skeleton including attachment points for ligaments and muscles. The model is prepared to run muscle-driven simulation using a simple biological motor control model. The file...

Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'

Aug 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering

Zimmermann, Nils Edvin Richard; Guevara-Carrion, Gabriela; Vrabec, Jadran; Hansen, Niels, 2022, "Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'", https://doi.org/10.18419/darus-2996, DaRUS, V2

Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Adv. Theory Simul., 2022) containing scripts, packages, and files to re-create and...

Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'

May 4, 2022 - Institute of Thermodynamics and Thermal Process Engineering

Fleck, Maximilian; Markthaler, Daniel; Stankiewicz, Bartosz; Hansen, Niels, 2022, "Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'", https://doi.org/10.18419/darus-2132, DaRUS, V1, UNF:6:8wyFNcxoOTcKA+4ZpSWLAg== [fileUNF]

Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mention...

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