Johannes Wasmer's repositories
2024-03-04-instructor24-wasmer-online
Carpentries Instructor training March 5, workshop page creation example
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
dtc-workshop
Example project with a CNN to train a Pokémon type classifier, adapted for DTC workshop
course-jsc-i2aisc23
Fork of JSC course Getting Started with AI on Supercomputers, 2023, 4th run
DSECOP
This repository contains data science educational materials developed by DSECOP Fellows.
fair-python-cookiecutter
An opinionated cookiecutter template to kickstart a modern best-practice Python project with FAIR metadata.
geometric-gnn-dojo
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
gpschool-labs
Repository for labs
GradDFT
Grad-DFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
intertwin-eu-architecture-diagrams
Repository for architecture diagrams
jhoward-llms-for-hackers
Hackers' Guide to Language Models
jwa7_rho_learn
A proof-of-concept framework for torch-based learning of the electron density and related scalar fields
karpathy-nn-zero
Neural Networks: Zero to Hero
lcmd-epfl-Q-stack
Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
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
luthaf-rascaline
Computing representations for atomistic machine learning
mala
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
mazeGPT
AI model for making mazes that extends OpenAIs GPT2 model
QuantumLab-ZY-HamGNN
An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
Ramprasad-Group-ML-DFT
Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.
rasbt-pycon2024
Tutorial Materials for "The Fundamentals of Modern Deep Learning with PyTorch" workshop at PyCon 2024
siddarthachar-deepcdp
DeepCDP: Deep learning Charge Density Prediction.
udlbook
Understanding Deep Learning - Simon J.D. Prince