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Replication Data for: "S4: Self-Supervised learning of Spatiotemporal Similar...
We train a self-supervised siamese model that enables querying for similar behavior on spatiotemporal volumes. Here we provide the code and data needed to reproduce the... -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for...
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... -
Data for: A Comparative Study of Visualizations for Multiple Time Series
Study data of comparative study of visualizations for multiple time series including anonymized participant data from Prolific, data set generation scripts, source code for the... -
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Prot...
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the... -
Replication Data for: Distributing Higher-Dimensional Simulations Across Comp...
Scripts to run the weak, strong and remote strong scaling tests described in "Distributing Higher-Dimensional Simulations Across Compute Systems: A Widely Distributed... -
Code for effective heat conductivity in thin porous media
This code can be used to determine the effective heat conductivity of a thin periodic porous medium by solving a two- or three-dimensional local cell problem on pore scale using... -
Replication Data for: Load-Balancing for Scalable Simulations with Large Part...
This dataset contains input data, scripts, etc. for replicating the numerical experiments in Steffen Hirschmann's dissertation. The data is prefixed with folders indicating the... -
Replication Data for: Fast Sparse Grid Operations using the Unidirectional Pr...
This dataset contains supplementary code for the paper Fast Sparse Grid Operations using the Unidirectional Principle: A Generalized and Unified Framework. The code is also... -
Supplementary material for 'Adsorption of Light Gases in Covalent Organic Fra...
This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid... -
Replication Data for: On the Universality of the Double Descent Peak in Ridge...
This dataset contains code used to generate the figures in the paper On the Universality of the Double Descent Peak in Ridgeless Regression, David Holzmüller, International... -
Enzymatically induced carbonate precipitation and its effect on capillary pre...
This data set includes processed image data from three experiments on enzymatically induced carbonate precipitation ( further named low-, medium-, and high-mineralization or... -
Publication data for: "Electronic Structure of a Diiron Complex: A Multitechn...
All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting... -
Publication data for: "The presence of a wall enhances the probability for ri...
All primary data files and processed data of the journal article from C6 group. It contains the simulation and analysis scripts, the ESPResSo commit and a patch to it, with... -
Simulation Scripts for Motile Bacteria in a Channel
Simulation scripts to simulate bacteria in a channel. Motility patterns run and tumble or straight swimming are supported. Requires Espresso simulation package.... -
2d microstructure data
The hdf5 file contains image data of inclusion based microstructured material and the homogenized effective heat conductivity thereof. The microstructure is defined with a...