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171 to 180 of 16,240 Results

readme.md Apr 16, 2025 - Replication Data for: Greedy-kernel algorithms for data mapping in multiphysics simulations Markdown Text - 1008 B - MD5: 9bc34f475d7aeffb0e803de6b1002962
Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning Apr 16, 2025 - PN 3-11 Pluhackova, Kristyna; Pfaendner, Christian; Unger, Benjamin; Korn, Viktoria Helena, 2025, "Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning", https://doi.org/10.18419/DARUS-4134, DaRUS, V1 The simulation files, molecule topologies, and analysis workflows required to generate the results of our paper 'ART-SM: Boosting Fragment-Based Backmapping by Machine Learning' published in J. Chem. Theory Comput.. In details: simulations.tar.gz: Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top...
simulations.tar.gz Apr 16, 2025 - Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning Gzip Archive - 3.5 GB - MD5: 29446eb0163201b09183cd448e4fc350 Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top (topology) files. GROMACS 2021 or 2023 was used for the simulations (see paper for details). Additionally, ART-SM and Backward mapping files from coarse-grained to atomistic resolution are included.
workflows.tar.gz Apr 16, 2025 - Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning Gzip Archive - 178.8 KB - MD5: 35b10d2aa63dd1e4aef4aeaa202c34df Snakefiles and python/bash scripts to reproduce the results in the paper. The actual results are not included.
Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Apr 11, 2025 - Institute for Theoretical Physics III: Büchler Group Mögerle, Johannes; Brechtelsbauer, Katharina; Gea Caballero, Ana Teresa; Prior, Javier; Emperauger, Gabriel; Bornet, Guillaume; Chen, Cheng; Lahaye, Thierry; Browaeys, Antoine; Büchler, Hans Peter, 2025, "Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"", https://doi.org/10.18419/DARUS-4990, DaRUS, V1 This dataset includes files and data to reproduce the figures of "Spin-1 Haldane phase in a chain of Rydberg atoms". The `plot_data` directory contains all raw data, which are needed to reproduce the figures of the paper. This data was generated by using the TeNPy package (v0.10.0) and the pairinteraction package (v0.9.9). The `plot_scripts` direct...
all.py Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Python Source Code - 603 B - MD5: 697fe9ba58f15cc47f6b056d67e254ec
config.yml Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Unknown - 466 B - MD5: 6d69644809c1a64915f74c3f961350ac
excitation_settings.py Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Python Source Code - 1.3 KB - MD5: d0c845d08fcc921e1a5bdf4a5dd78a6b
model_matrices.yml Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Unknown - 3.9 KB - MD5: 2f35640da70e065321c29e6254f38232
model_params.yml Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms" Unknown - 3.1 KB - MD5: 4a85a4ec53d761036652a8bddfde31c3

readme.md

Apr 16, 2025 - Replication Data for: Greedy-kernel algorithms for data mapping in multiphysics simulations

Markdown Text - 1008 B -

Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning

Apr 16, 2025 - PN 3-11

Pluhackova, Kristyna; Pfaendner, Christian; Unger, Benjamin; Korn, Viktoria Helena, 2025, "Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning", https://doi.org/10.18419/DARUS-4134, DaRUS, V1

The simulation files, molecule topologies, and analysis workflows required to generate the results of our paper 'ART-SM: Boosting Fragment-Based Backmapping by Machine Learning' published in J. Chem. Theory Comput.. In details: simulations.tar.gz: Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top...

simulations.tar.gz

Apr 16, 2025 - Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning

Gzip Archive - 3.5 GB -

Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top (topology) files. GROMACS 2021 or 2023 was used for the simulations (see paper for details). Additionally, ART-SM and Backward mapping files from coarse-grained to atomistic resolution are included.

workflows.tar.gz

Apr 16, 2025 - Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning

Gzip Archive - 178.8 KB -

Snakefiles and python/bash scripts to reproduce the results in the paper. The actual results are not included.

Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Apr 11, 2025 - Institute for Theoretical Physics III: Büchler Group

Mögerle, Johannes; Brechtelsbauer, Katharina; Gea Caballero, Ana Teresa; Prior, Javier; Emperauger, Gabriel; Bornet, Guillaume; Chen, Cheng; Lahaye, Thierry; Browaeys, Antoine; Büchler, Hans Peter, 2025, "Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"", https://doi.org/10.18419/DARUS-4990, DaRUS, V1

This dataset includes files and data to reproduce the figures of "Spin-1 Haldane phase in a chain of Rydberg atoms". The `plot_data` directory contains all raw data, which are needed to reproduce the figures of the paper. This data was generated by using the TeNPy package (v0.10.0) and the pairinteraction package (v0.9.9). The `plot_scripts` direct...

all.py

Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Python Source Code - 603 B -

config.yml

Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Unknown - 466 B -

excitation_settings.py

Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Python Source Code - 1.3 KB -

model_matrices.yml

Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Unknown - 3.9 KB -

model_params.yml

Apr 11, 2025 - Data for "Spin-1 Haldane phase in a chain of Rydberg atoms"

Unknown - 3.1 KB -

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