Irratzo
Electronic structure learning, atomistic machine learning, AI4Science, open science, research software engineering
Forschungszentrum JülichJülich, Germany
Pinned Repositories
2024-03-04-instructor24-wasmer-online
Carpentries Instructor training March 5, workshop page creation example
about-myself
short presentation about myself
ai4material_design
Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of defects in 2D materials. npj Comput Mater 9, 113 (2023).
aiforgreatgood-charge3net
Higher-order equivariant neural networks for charge density prediction in materials
ase-workshop-2023-tutorial
Tutorial site for the 2023 workshop "Open Science with the Atomic Simulation Environment"
awesome-LaTeX
Curated list of LaTeX awesomeness
aiida-jutools
Tools for simplifying daily work with the AiiDA workflow engine
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Irratzo's Repositories
Irratzo/2024-03-04-instructor24-wasmer-online
Carpentries Instructor training March 5, workshop page creation example
Irratzo/ai4material_design
Code for Kazeev, N., Al-Maeeni, A.R., Romanov, I. et al. Sparse representation for machine learning the properties of defects in 2D materials. npj Comput Mater 9, 113 (2023).
Irratzo/aiforgreatgood-charge3net
Higher-order equivariant neural networks for charge density prediction in materials
Irratzo/dtc-workshop
Example project with a CNN to train a Pokémon type classifier, adapted for DTC workshop
Irratzo/best-of-lists_best-of-generator
🏆 Generates a ranked list of awesome libraries and tools.
Irratzo/best-of-lists_best-of-update-action
🔄 GitHub Action to update a best-of list.
Irratzo/camlab-ethz-AI_Science_Engineering
This repository is the official project page of the course AI in the Sciences and Engineering, ETH Zurich.
Irratzo/course-jsc-i2aisc23
Fork of JSC course Getting Started with AI on Supercomputers, 2023, 4th run
Irratzo/cv
Curriculum vitae
Irratzo/DSECOP
This repository contains data science educational materials developed by DSECOP Fellows.
Irratzo/fair-python-cookiecutter
An opinionated cookiecutter template to kickstart a modern best-practice Python project with FAIR metadata.
Irratzo/francoisporcher-awesome-ai-tutorials
The best collection of AI tutorials to make you a boss of Data Science!
Irratzo/gpss23
Irratzo/GradDFT
Grad-DFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
Irratzo/ilyes319-mace-tutorials
Irratzo/intertwin-eu-architecture-diagrams
Repository for architecture diagrams
Irratzo/jhoward-llms-for-hackers
Hackers' Guide to Language Models
Irratzo/jwa7_rho_learn
A proof-of-concept framework for torch-based learning of the electron density and related scalar fields
Irratzo/karpathy-gpt-from-scratch
Irratzo/karpathy-nn-zero
Neural Networks: Zero to Hero
Irratzo/lcmd-epfl-Q-stack
Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
Irratzo/lefan99_training_data_master_thesis
ML training data for L. Dolg's master thesis "Analyzing and Improving the Initial Charge Density in FLEUR DFT Calculations", March 5, 2024
Irratzo/luthaf-rascaline
Computing representations for atomistic machine learning
Irratzo/mala
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
Irratzo/mazeGPT
AI model for making mazes that extends OpenAIs GPT2 model
Irratzo/QuantumLab-ZY-HamGNN
An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
Irratzo/Ramprasad-Group-ML-DFT
Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
Irratzo/rasbt-pycon2024
Tutorial Materials for "The Fundamentals of Modern Deep Learning with PyTorch" workshop at PyCon 2024
Irratzo/udlbook
Understanding Deep Learning - Simon J.D. Prince
Irratzo/ulissigroup-charge-density-models