4,462 datasets found

Data to replicate the run times for comparing different combination technique basis functions' performance. To be presented at the poster session at PASC 2022. The data...

Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is...

LAMMPS and GROMACS molecular simulation input files. The system consists of thin film water confined in a 7 nm NaCl slit pore, and can be generated using the Python scripts in...

Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon...

This dataset contains the raw data of the results of the numerical simulations published in: Carina Bringedal, Theresa Schollenberger, G. J. M. Pieters, C. J. van Duijn and...

For more information, such as installation, requirements and user guide, please see the demoa manual. The development of this package was supported by “Deutsche...

This dataset contains the CAD-files and drawings specifying the geometry, material and manufacturing tolerances of the prototype of our self-adaptive beam-slider system. Under...

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...

This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter...

In the nationally funded project ParkCast new methods for short-term power prediction for offshore wind farms will be developed, optimized and evaluated. The power forecasts...

Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "Simulations Explain the Swelling Behavior of Hydrogels with...

All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here. The data is structured...

Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at...

The role of lateral diffusion of proteins in the membrane in the context of function has not been examined extensively. The data set addresses the relationship between protein...

Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab Basic instructions for installing and running the...

Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the...

Hydrogen Database This dataset contains energies of hydrogen states as well as transition energies and dipole strengths in dependence of the magnetic field strength given in β,...

This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting...

Binding affinities of seven drug molecules (G1-G7) towards a common receptor (cucurbit[8]uril, CB8) were estimated from molecular dynamics (MD) simulations in the scope of the...

CSV data sets to reproduce all plots in the paper and the Supplementary Information.