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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

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.

bfocassio-mldensity_tutorial

Tutorial files to work with ML for the charge density in molecules and solids

chemrev-gpr

Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020

clasp

clasp Common Lisp environment

containers

https://enccs.github.io/Containers/

course-jsc-i2aisc23

Fork of JSC course Getting Started with AI on Supercomputers, 2023, 4th run

deep-learning-hands-on-rest

Interactive session to implement deep learning methods in python using TensorFlow for the REST GDR Machine Learning Discussion Meeting.

density-learning-tutorials

dft-book-espresso

New version of dft-book for Quantum Espresso

dsecop

This repository contains data science educational materials developed by DSECOP Fellows.

dtc-workshop

Example project with a CNN to train a Pokémon type classifier, adapted for DTC workshop

equivariant_electron_density

Generate and predict molecular electron densities with Euclidean Neural Networks

fair-python-cookiecutter

An opinionated cookiecutter template to kickstart a modern best-practice Python project with FAIR metadata.

fall-in-love-with-julia

An introductory 101 series to get to know the power of Julialang

geometric-gnn-dojo

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

gnn_transformers

Workshop lesson material for the GNN and Transformers workshop

gpschool-labs

Repository for labs

gpss23

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

jahai

MATSE Skriptprogrammierung Projekt 2015

jhoward-llms-for-hackers

Hackers' Guide to Language Models

judit-discover-section

Discover secion for the JuDiT database on https://www.materialscloud.org/discover/menu

julia-ml-course

Julia programming for Machine Learning course at TU Berlin