Material of the seminar "Julia for Materials Modelling"
☆30Jun 23, 2023Updated 3 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☆17Aug 4, 2026Updated 2 weeks ago
- A graph database tool for experimental data in materials science and chemistry.☆20Jan 7, 2025Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Tools for geometric learning☆12Sep 26, 2025Updated 10 months ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆97Aug 3, 2026Updated 2 weeks ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- ☆41Jan 23, 2026Updated 6 months ago
- A playground for Wannier functions☆42Aug 6, 2026Updated last week
- A Julian toolkit for solid-state chemical theory.☆33Nov 11, 2025Updated 9 months ago
- A Julian abstract interface for atomistic calculators.☆17Feb 17, 2026Updated 6 months ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 8 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated 2 months ago
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jul 20, 2026Updated 3 weeks ago
- Computing representations for atomistic machine learning☆82Jul 22, 2026Updated 3 weeks ago
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆11May 4, 2021Updated 5 years ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- ☆28Aug 20, 2025Updated 11 months ago
- working with crystal structures☆21Jun 28, 2024Updated 2 years ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated last month
- ☆12Jul 20, 2026Updated 3 weeks ago
- Moment Invariants Local Atomic Descriptor☆35Aug 20, 2024Updated last year
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆35Updated this week
- A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.☆15Jun 16, 2021Updated 5 years ago
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- AiiDA plugin that makes running shell commands easy.☆16Updated this week
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 5 months ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆13Jul 29, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆156Feb 7, 2026Updated 6 months ago
- Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2☆21Apr 9, 2021Updated 5 years ago
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- ChemPile project☆19Jul 31, 2025Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆83Aug 2, 2026Updated 2 weeks ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago