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).
awesome-LaTeX
Curated list of LaTeX awesomeness
benchml
ML benchmarking and pipeling framework
BestPractices
Things that you should (and should not) do in your Materials Informatics research.
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/benchml
ML benchmarking and pipeling framework
Irratzo/dtc-workshop
Example project with a CNN to train a Pokémon type classifier, adapted for DTC workshop
Irratzo/course-jsc-i2aisc23
Fork of JSC course Getting Started with AI on Supercomputers, 2023, 4th run
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/geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
Irratzo/gpschool-labs
Repository for labs
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/intertwin-eu-architecture-diagrams
Repository for architecture diagrams
Irratzo/jhoward-llms-for-hackers
Hackers' Guide to Language Models
Irratzo/julia-ml-course
Julia programming for Machine Learning course at TU Berlin
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/luthaf-rascaline-torch
Irratzo/m-stack-org-rho-predictor
A tool to predict the electronic density of molecules using a SA-GPR model
Irratzo/mace-tutorials
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/MoE
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/udlbook
Understanding Deep Learning - Simon J.D. Prince
Irratzo/ulissigroup-charge-density-models