Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
☆162Feb 7, 2026Updated 7 months ago
Alternatives and similar repositories for MLforMaterials
Users that are interested in MLforMaterials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 9 months ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- A python library for calculating materials properties from the PES☆152Sep 9, 2026Updated last week
- The materials for the Fall ML in Materials course at the UTK MSE☆90Dec 11, 2023Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆57Aug 15, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A text-guided diffusion model for crystal structure generation☆80May 30, 2025Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- Library for Crystal Symmetry in Rust☆81Updated this week
- Python package to aid materials design and informatics☆141Updated this week
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 4 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 2 months ago
- ☆36May 23, 2025Updated last year
- A toolkit for visualizations in materials informatics.☆335Sep 10, 2026Updated last week
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Dealing with slabs for first principles calculations of surfaces☆70Sep 17, 2023Updated 3 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 7 months ago
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Sep 11, 2026Updated last week
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆255Jul 23, 2026Updated 2 months ago
- ☆18Mar 24, 2025Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆84Jun 29, 2026Updated 2 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 2 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- materials science related animations☆13Jan 9, 2025Updated last year
- atomate2 is a library of computational materials science workflows☆348Updated this week
- Band structure unfolding made easy!☆68Jul 6, 2026Updated 2 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆46Sep 13, 2026Updated last week
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆252Sep 15, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 11 months ago
- Defect analysis modules for pymatgen