Pinned Repositories
aiida-core
The official repository for the AiiDA code
ansible-dokku
Ansible modules for installing and configuring Dokku
aiida-graph-render
How to render a complex AiiDA graph using GePhi
asetk
Toolkit using the Atomistic Simulation Environment (ASE)
atomistic-software
Tracking citations of atomistic simulation engines
epw-school-2021
2021 Virtual School on Electron-Phonon Physics and the EPW code
flask-sqlalchemy-circular-imports
Minimum working example for avoiding circular imports with flask_sqlalchemy
holoviews-dynamic-hover
Combines datashader with dynamic bokeh overlay depending on zoom level
jsmol-bokeh-extension
JSmol extension for bokeh
quantum-mobile
A Virtual Machine for computational materials science
ltalirz's Repositories
ltalirz/atomistic-software
Tracking citations of atomistic simulation engines
ltalirz/open-7m-workout
Open-source implementation of 7-minute workout
ltalirz/aiida-diff
AiiDA demo plugin that computes the difference between two files.
ltalirz/llamp
A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai
ltalirz/ltalirz.github.io
Home page of Leopold Talirz
ltalirz/ADIS2023
Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
ltalirz/aiida-core
The official repository for the AiiDA code
ltalirz/aiida-nwchemex
AiiDA plugin for NWChemEx
ltalirz/aiida-plugin-cutter
Cookie cutter recipe for AiiDA plugins.
ltalirz/aiida-registry
Find plugins for AiiDA
ltalirz/ansible-cvmfs-client
ltalirz/ansible-dokku
Ansible modules for installing and configuring Dokku
ltalirz/az-hop
The Azure HPC On-Demand Platform provides an HPC Cluster Ready solution
ltalirz/azhpc-images
Scripts for installing HPC libraries, tools, to be used in Azure HPC images
ltalirz/azure-docs
Open source documentation of Microsoft Azure
ltalirz/azure-functions-core-tools
Command line tools for Azure Functions
ltalirz/azurehpc-health-checks
Health checks for Azure N- and H-series VMs.
ltalirz/devcontainers.github.io
Web content for the development containers specification.
ltalirz/FLOSIC
FLOSIC
ltalirz/kedro
Kedro is a toolbox for production-ready data science. It uses software engineering best practices to help you create data engineering and data science pipelines that are reproducible, maintainable, and modular.
ltalirz/lammps-feedstock
A conda-smithy repository for lammps.
ltalirz/LangSim
Application of Large Language Models (LLM) for computational materials science
ltalirz/pgtest
Creates a temporary, local PostgreSQL database cluster and server specifically for unittesting, and cleans up after itself.
ltalirz/pytest
The pytest framework makes it easy to write small tests, yet scales to support complex functional testing
ltalirz/qe-feedstock
A conda-smithy repository for qe.
ltalirz/scine-utilities-python-feedstock
A conda-smithy repository for scine-utilities-python.
ltalirz/scine-utilsos-feedstock
A conda-smithy repository for scine-utilsos.
ltalirz/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
ltalirz/weas-widget
A widget to visualize and edit atomistic structures in Jupyter Notebook
ltalirz/yambo-feedstock
A conda-smithy repository for yambo.