239 datasets found

Ferritin Degradome Atlas (Version 2) Description The Ferritin Degradome Atlas (Version 2) is a comprehensive, open-access reference dataset that systematically maps the...

VIPR (Versatile Inverse Problem Software Framework) is a plugin-based framework for reproducible machine-learning-driven solutions to scientific inverse problems. It addresses...

<p>IZ-DPscreen is a hybrid machine learning framework developed for the high-throughput screening of double perovskites. It employs a stacking regressor approach to...

Data for the master's thesis "Machine learning interatomic potentials for ordered mesoporous yttrium silicates" by Daniel Kevin Frank. This dataset contains the files mentioned...

This dataset contains supplementary videos for the publication "Optimal information injection and transfer mechanisms for active matter reservoir computing" (Gaimann and...

Code, quick-start examples and full documentation: https://github.com/BaumSebastian/DDACS.The benchmark dataset was generated through a comprehensive simulation study of the...

These machine learning models are developed as a part of the “Computational Visual Cataloguing” project. The scripts and configuration files required to train and...

<p>Maximally-localized Wannier functions are quantum wavefunctions resembling atomic orbitals that are used to describe electrons in condensed matter. Since their...

The data in this repository support the findings presented in the article "Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6PS5Cl using...

This dataset provides the code, trained models, and supporting data needed to reproduce the work presented in Jose et al. 2026 on transferable deep-learning-based OH-LIF...

This dataset contains Hardware Performance Counters (HwPCs) measurements collected from parallel code regions executing on heterogeneous High Performance Computing platforms....

This dataset contains all the necessary information to reproduce the results presented in the manuscript "Streamlined Machine Learning Protocol for the Discovery of Singlet...

This dataset houses the code and data related to the paper titled "Prediction of Electronic Density of States in Guanine-TiO2 Adsorption Model based on Machine Learning.”...

Neural Network (NN) model to predict CCS load. The file contains the weight and bias matrices obtained from the trained NN model. The input field (shaded in blue) can be changed...

This dataset houses a research poster and its poster abstract. The set of documents was first presented at the doctoral days organized by the Doctoral Committee of the...

This dataset contains the drugscreen of the FDA-approved drug library (Enzo Screen Well BML 2843, Plates 3, 5, 6 ) including the imaging data (time lapse bright-field...

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)...

Between May 2021 and March 2022, video data from 84 participants in 28 groups was collected (the exact description of this data can be found in the article cited uder related...

This dataset contains research data for the publication "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes". Content: 1)...

Machine Learning (ML) can be conveniently applied to continuum materials simulations, allowing for the investigation of larger systems and longer timescales, pushing the limits...