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Replication Data for: "Scaling the Plasma Simulation while Conserving the Mas...
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... -
Molecular simulation scripts for thin film water on NaCl surface
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... -
Code and Data for: A Framework and Benchmark for Deep Batch Active Learning f...
This dataset contains code and data for our paper "A Framework and Benchmark for Deep Batch Active Learning for Regression". The code can be used to reproduce the results, to... -
Python implementation of heat accumulation equations for additive manufacturing
This is a python implementation of the heat accumulation equations, which describe the increase of the residual temperature in additive manufacturing. The Derivation of the... -
Python scripts related to MD simulations in "Preferential interaction of DNMT...
Python scripts used for the Molecular Dynamics Simulation presented in "Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant... -
Material for the paper "The possible role of lipid bilayer properties in the ...
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... -
Supplementary material for 'Influence of Layer Slipping on Adsorption of Ligh...
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... -
Electronic Supporting Information and Data for: Simulations Explain the Swell...
Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "Simulations Explain the Swelling Behavior of Hydrogels with... -
Replication data of C6 group for: "A thermalized electrokinetics model includ...
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... -
PyPlant: A Python Framework for Cached Function Pipelines
PyPlant is a simple coroutine-based framework for writing data processing pipelines. PyPlant's goal is to simplify caching of intermediate results in the pipeline and avoid... -
Electronic Supporting Information and Data for: The pH-dependent Swelling of ...
Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at... -
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...
