MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers in the automated analysis and labeling of atomistic datasets.
☆23Nov 28, 2023Updated 2 years ago
Alternatives and similar repositories for matid
Users that are interested in matid are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- materials science related animations☆13Jan 9, 2025Updated last year
- Specification of a common REST API for access to materials databases☆108Aug 31, 2026Updated 2 weeks ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 4 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Helpers for working with pymatgen structure graphs.☆11Feb 4, 2025Updated last year
- Agent-based sequential learning software for materials discovery☆64Feb 7, 2024Updated 2 years ago
- ☆10Sep 26, 2025Updated 11 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆475Apr 18, 2026Updated 5 months ago
- Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.☆45Aug 13, 2019Updated 7 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- Machine learning molecule graphs from atomic force microscopy images.☆13May 25, 2023Updated 3 years ago
- Simmate: a full-stack framework for chemistry research.☆37Sep 1, 2026Updated 2 weeks 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.
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated last month
- Generate isosurface from density data☆15Sep 7, 2026Updated last week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Sep 1, 2026Updated 2 weeks ago
- A general parser for VASP☆16Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- A tool for calculating distortion parameters in coordination complexes.☆20Apr 16, 2026Updated 5 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Apr 8, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Visualizations