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Simulating solvation and acidity in complex mixtures with first-principles ac...
Set of inputs to perform the calculations reported in the paper. The i-pi input enables to perform molecular dynamics / metadynamics / REMD / PIMD simulations, with adequate... -
Global free-energy landscapes as a smoothly joined collection of local maps
This repository contains the scripts that were used to run the calculations that present a new biasing technique, the Adaptive Topography of Landscape for Accelerated Sampling... -
Ranking the synthesizability of hypothetical zeolites with the sorting hat
Zeolites are nanoporous alumino-silicate frameworks widely used as catalysts and adsorbents. Even though millions of siliceous networks can be generated by computer-aided... -
Gridded data for the AQ-Bench dataset
This is a gridded version of the AQ-Bench variables. The AQ-Bench dataset and its documentation is available via Betancourt et al. (2021): "AQ-Bench: a benchmark dataset for... -
2020_VTC-Fall_RP-DTW_data-set
This repository contains measurement data that are presented in the paper "Modified Dynamic Time Warping with a Reference Path for Alignment of Repeated Drive-Tests" Submitted... -
Assessment of a subgrid-scale model for convection-dominated mass transfer fo...
Data accompanying the publication "Assessment of a subgrid-scale model for convection-dominated mass transfer for the initial transient rise of a bubble". -
Gridded data for the AQ-Bench dataset
This is a gridded version of the AQ-Bench variables. The AQ-Bench dataset and its documentation is available via Betancourt et al. (2021): "AQ-Bench: a benchmark dataset for... -
Atomic force microscopy indentation data of zebrafish spinal cord sections
The HDF5 file was created using the Python package nanite. It contains 1132 raw atomic force microscopy (AFM) force-indentation curves of zebrafish spinal cord sections, the... -
Atomic force microscopy indentation data of zebrafish spinal cord sections
The HDF5 file was created using the Python package nanite. It contains 1132 raw atomic force microscopy (AFM) force-indentation curves of zebrafish spinal cord sections, the... -
Teaching ML in Compact Courses
This talk summarizes the experiences made with teaching Machine Learning within compact events that stretch over several days to a week maximum. Both speakers explain pitfalls... -
Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep...
Output from electronic structure code (Quantum Espresso) that serves as training data for the machine-learning workflow of the related scientific publication... -
Data publication: Bubble size distribution and electrode coverage at porous n...
Porous materials are frequently used as e.g. electrodes or porous transport layers in various types of electrolyzers. A better understanding of the bubble dynamics on porous... -
TEAM – The Transformer Earthquake Alerting Model
TEAM, the Transformer Earthquake Alerting Model is a deep learning model for real time estimation of peak ground acceleration (TEAM), earthquake magnitude and earthquake... -
Fast earthquake assessment and earthquake early warning dataset for Italy
The data publication contains a dataset for fast assessment of earthquakes and early warning based on seismic waveforms. The dataset encompasses Italy and surrounding refions.... -
Fast earthquake assessment dataset for Chile
The data publication contains a dataset for fast assessment of earthquakes based on seismic waveforms. The dataset encompasses Northern Chile. Due to the large scale of the... -
Model files for the Neural network-based model of Electron density in the Top...
Here, we present model files and example scripts for the Neural network-based model of Electron density in the Topside ionosphere (NET). The model is based on radio occultation...