MODNet: a framework for machine learning materials properties
☆106May 2, 2025Updated 11 months ago
Alternatives and similar repositories for modnet
Users that are interested in modnet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Matbench: Benchmarks for materials science property prediction☆192Aug 20, 2024Updated last year
- ☆18Sep 12, 2023Updated 2 years ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- The Element Movers Distance for chemical composition similarity☆37Mar 21, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Predict materials properties using only the composition information!☆123Apr 23, 2023Updated 2 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project …☆124Feb 4, 2025Updated last year
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 7 months ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆46Aug 20, 2024Updated last year
- Representation Learning from Stoichiometry☆60Dec 12, 2022Updated 3 years ago
- Data mining for materials science☆578Mar 30, 2026Updated last week
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A toolkit for visualizations in materials informatics.☆308Updated this week
- Moment Invariants Local Atomic Descriptor☆34Aug 20, 2024Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Updated this week
- The Materials Project Workshop Curriculum☆119Mar 1, 2023Updated 3 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last month
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- An automatic engine for predicting materials properties.☆169Nov 12, 2023Updated 2 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆103Jan 13, 2026Updated 2 months ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆93Apr 1, 2026Updated last week
- 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.
- Create new MOFs by combining generative AI and simulation on HPC☆28Mar 20, 2026Updated 3 weeks ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆555Apr 27, 2023Updated 2 years ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 3 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆116Nov 7, 2025Updated 5 months ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Sep 1, 2022Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- ☆12Mar 11, 2026Updated 3 weeks ago
- Graph deep learning library for materials☆527Apr 3, 2026Updated last week
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Oct 11, 2022Updated 3 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆32Nov 30, 2024Updated last year
- Predict materials properties using only the composition information!☆17Jun 4, 2025Updated 10 months ago