lemythe
Postdoctoral fellow, Computational materials science and materials informatics at the University of the Witwatersrand, Johannesburg, South Africa
University of the Witwatersrand, Johannesburg, South AfricaJohannesburg, South Africa
Pinned Repositories
amset-lemythe
Electronic transport properties from first-principles calculations
atomate2-lemythe
atomate2 is a library of computational materials science workflows
IFermi-lemythe
Fermi surface generation, analysis and visualisation.
materials-toolbox-lemythe
A collection of scripts to help with general comp chem hpc work
ML_Workshop-lemythe
nithecs-lemythe
optimade-tutorial-exercises-lemythe
Tutorial exercises for the OPTIMADE API
qas2023
Training material for Quantum Autumn School 2023
shell-novice-contribution-lemythe
The Unix Shell
Spring-School-Theoretical-and-Computational-Foundations-of-Quantum-Technologies
This is my webpage quantum computing at UKZN
lemythe's Repositories
lemythe/atomate2-lemythe
atomate2 is a library of computational materials science workflows
lemythe/optimade-tutorial-exercises-lemythe
Tutorial exercises for the OPTIMADE API
lemythe/qas2023
Training material for Quantum Autumn School 2023
lemythe/Spring-School-Theoretical-and-Computational-Foundations-of-Quantum-Technologies
This is my webpage quantum computing at UKZN
lemythe/2023-06-12-SADiLaR-Python-Online
Online Workshop from 12 to 16 of June at Rhodes University 2023
lemythe/2023-07-24-NiTheCS-Online
This website is for the on;line Workshop initiated by NiTheCS from 24-28 July 2023
lemythe/2023-09-25-NiTheCS-Online
NITheCS Online Software Carpentry (Shell, Git, Plotting and Programming in Python)
lemythe/2024-UChicago-AI-Science
Tutorials for the UChicago AI + Science Summer School 2024 (July 17, 2024)
lemythe/fastai-NeuralNet
The fastai deep learning library
lemythe/github-skillup-2023-10-11-lemythe
An example lesson teaching how to bake sourdough cinnamon rolls.
lemythe/gnnforspectroscopy
Code for training GNN models for QM9 dataset spectra
lemythe/GO_molecule_GNN
lemythe/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.
lemythe/HCLS_Quantum_chemistry_tutorial
Learn Quantum Computing for Chemistry
lemythe/HPC-InterestGroup
University of the Witwatersrand High Performance Computing Interest Group Code, Lectures, Notes & Examples
lemythe/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
lemythe/mace-tutorials
lemythe/mlip-2023-tutorial
lemythe/OPTIMADE-lemythe
Specification of a common REST API for access to materials databases
lemythe/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.
lemythe/psiflow_ML-IP
Interatomic potential development library
lemythe/qcopilot-js
Interact with the Quantum Copilot API
lemythe/qosf.org
Web portal of Quantum Open Source Foundation-------for open quantum project
lemythe/qutip-virtual-lab
A virtual laboratory interface to QuTiP for learning and exploring quantum mechanics on tablets, phones and in the browser.
lemythe/R-ecology-lesson-alternative-feedback
An alternative version of the Data Analysis and Visualization in R for Ecologists lesson - currently in beta testing
lemythe/textbook
Source content for the Qiskit Textbook
lemythe/tutorials
Tutorials for DeepModeling projects.
lemythe/UF-June-2023-SWC
First Git Repo as part of SWC workshop
lemythe/workshop-template-lemythe
The Carpentries Workshop Template
lemythe/XASNet-XAI
End-to-end Graph Neural Network model to predict XAS spectra. The package enables automated feature engineering and data processing of large text data. XASNet-XAI also provides explainability of predicted spectra.