ppdebreuck

modnet

MODNet: a framework for machine learning materials properties

MODNet-tutorial

onion_modnet

matbench

MatBench: Benchmark for materials science property prediction

modnet-matbench

Data repository accompanying "Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet"

ppdebreuck.github.io

SnO2_DFT-simulation

This repository contains the files used for the ab inito simulation based on DFT for SnO2

Stage_Python

tcmi

This interactive notebook includes the original implementation of total cumulative mutual information (TCMI) to reproduce the main results presented in the publication "TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions" (DOI: 10.1007/s10618-022-00847-y) (Preprint: https://arxiv.org/abs/2001.11212).

this-material-does-not-exist

Vote on whether you think predicted crystal structures could be synthesised

TTNN

A Thermal Transfer Neural Network

VibML