5 datasets found

Supplemental material for our paper "Exploring visual quality of multidimensional time series projections": A video demonstrating the interactive use of our exploration...

Source code of our visual analysis system for the exploration of the visual quality of multidimensional time series projections. This project contains source code for...

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...

The underlying study focused on ligand binding of bivalent ligands to the guanidine-II riboswitch. The dataset was generated using MD simulations and Machine Learning (ML)...

Fingerprint distances, which measure the similarity of atomic environments, are commonly calculated from atomic environment fingerprint vectors. In this work, we present the...