4,448 datasets found

This dataset contains simulation input files for GROMACS (topologies, index, simulation parameters, starting frames, run script) to be able to reproduce the data in the...

Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two...

This dataset includes the geometrical data for the Rydberg complexes depicted in Figures 5-10 of the paper "Functional completeness of planar Rydberg blockade structures". File...

This dataset provides time-dependent simulation results from high-fidelity motorcycle body crash scenarios. The set contains the angular as well as linear positions,...

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...

Mathematica file and dataset to reproduce the results in "Quantum fluctuations in one-dimensional supersolids". The Mathematica file "Quantumfluctuations.nb" created with...

Mathematica file and dataset to reproduce the results in "Ground-state stability and excitation spectrum of a one-dimensional dipolar supersolid". The Mathematica file...

This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a...

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...

Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of a subfigure. The experimental data is produced from the...

Simulation scripts, simulation data and plotting scripts for the paper "A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a...

GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration...

GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script...

This is the repository holding the supporting information for atomistic Molecular Dynamics Simulations of Teflon/Kapton capillaries. Here we list the simulation input scripts as...

This dataset contains all specifications to manufacture and assemble a new benchmark structure for the experimental analysis of nonlinear vibrations. The setup includes a...

This dataset contains the numerical data of the Marangoni convection test case from the study "Visual Analysis of Interface Deformation in Multiphase Flow". In the two...

In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the...

In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the...

In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the...

In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the...