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2023-06-12-sadilar-python-online

Online Workshop from 12 to 16 of June at Rhodes University 2023

2023-07-24-nithecs-online

This website is for the on;line Workshop initiated by NiTheCS from 24-28 July 2023

2023-09-25-nithecs-online

NITheCS Online Software Carpentry (Shell, Git, Plotting and Programming in Python)

2024-uchicago-ai-science

Tutorials for the UChicago AI + Science Summer School 2024 (July 17, 2024)

amset-lemythe

Electronic transport properties from first-principles calculations

atomate2-lemythe

atomate2 is a library of computational materials science workflows

bapt-lemythe

Band alignment plotting tool

dask-tutorial-sa-jean

This repo contains the scripts for the tutorial activity on Dask-ML for the School 'High Performance Computing for sustainable development' organized by ICTP/CHPC in SA.

data-preprocessing-lemythe

fastai-neuralnet

The fastai deep learning library

github-skillup-2023-10-11-lemythe

An example lesson teaching how to bake sourdough cinnamon rolls.

gnnforspectroscopy

Code for training GNN models for QM9 dataset spectra

handson-ml3-imsi2024

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

hcls_quantum_chemistry_tutorial

Learn Quantum Computing for Chemistry

hello-world

homework-6

Machine learning exercice to more understand the lesson

hpc-interestgroup

University of the Witwatersrand High Performance Computing Interest Group Code, Lectures, Notes & Examples

hpc-intro

Lesson materials for an Introduction to High Performance Computing in the tradition of Software Carpentry

hpc-workflows

Scaling studies on high-performance clusters using Snakemake workflows

hpc_io_lemythe

Demo programs for various types of I/O topics

ifermi-lemythe

Fermi surface generation, analysis and visualisation.

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

mace-tutorials

materials-toolbox-lemythe

A collection of scripts to help with general comp chem hpc work

ml_workshop-lemythe

mlip-2023-tutorial

nithecs-lemythe

optimade-lemythe

Specification of a common REST API for access to materials databases

optimade-tutorial-exercises-lemythe

Tutorial exercises for the OPTIMADE API

pennylane

PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.