Material of the seminar "Julia for Materials Modelling"
☆30Jun 23, 2023Updated 2 years ago
Alternatives and similar repositories for julia-for-materials
Users that are interested in julia-for-materials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Julia package for studying electron-phonon coupling☆16Aug 18, 2025Updated 10 months ago
- A graph database tool for experimental data in materials science and chemistry.☆21Jan 7, 2025Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- A playground for Wannier functions☆42Jun 8, 2026Updated last week
- Tools for geometric learning☆12Sep 26, 2025Updated 8 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 2 years ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆97May 3, 2026Updated last month
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43May 28, 2026Updated 3 weeks ago
- ☆40Jan 23, 2026Updated 4 months ago
- A Julian abstract interface for atomistic calculators.☆17Feb 17, 2026Updated 4 months ago
- A Julian toolkit for solid-state chemical theory.☆33Nov 11, 2025Updated 7 months ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 6 months ago
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆12May 4, 2021Updated 5 years ago
- Computing representations for atomistic machine learning☆82Jun 2, 2026Updated 2 weeks ago
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jan 10, 2025Updated last year
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- ☆26Aug 20, 2025Updated 9 months ago
- working with crystal structures☆21Jun 28, 2024Updated last year
- ☆12Jun 8, 2026Updated last week
- Moment Invariants Local Atomic Descriptor☆34Aug 20, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆15Jun 16, 2021Updated 5 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Jun 2, 2026Updated 2 weeks ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 8, 2026Updated last week
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 3 months ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 2 years ago
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆36Jun 9, 2026Updated last week
- AiiDA plugin that makes running shell commands easy.☆17May 21, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- The core of the SEAMM environment and graphical interface.☆17Mar 19, 2026Updated 2 months ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆25May 8, 2026Updated last month
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Apr 4, 2026Updated 2 months ago
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆34Updated this week