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Stars
Container runtimes on macOS (and Linux) with minimal setup
For installing and configuring SLURM - Simple Linux Utility for Resource Management
High-Throughput Dielectric Functions under the IPA using Quantum Espresso and Yambo
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
An evolving package to compute tight-binding Hamiltonians for various uses.
QE-GIPAW for Quantum-Espresso (official repository)
An ansible playbook for setting up a multi-user AiiDAlab server on Ubuntu.
A tutorial on Slurm using a docker cluster
Hacky way to run BeeGFS in docker for testing pourposes
Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO
"rsync for cloud storage" - Google Drive, S3, Dropbox, Backblaze B2, One Drive, Swift, Hubic, Wasabi, Google Cloud Storage, Azure Blob, Azure Files, Yandex Files
Docker image with demonstration software stack for AiiDAlab
Full stack, modern web application template. Using FastAPI, React, SQLModel, PostgreSQL, Docker, GitHub Actions, automatic HTTPS and more.
A prototype for a non-RabbitMQ `Process` execution coordinator.
Collection of Tutorials on Machine Learning Interatomic Potentials
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
High-resolution models for human tasks.
Neutron scattering software to be used at Multiplexing Joint Organization
A Pure Python, React-style Framework for Scaling Your Jupyter and Web Apps
The k8s deployment repo for demo server on Azure (pure from z2jh)
aiida workchain for finding candidate implantation site(s) for the muon and contact hyperfine contribution to the local field.
Repository for the MSD group meeting about sexy shell configurations given on 2024-04-25 by Julian Geiger at PSI. Contributions/issues welcome!