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
Sorting:
- materials science related animations☆13Jan 9, 2025Updated last year
- Specification of a common REST API for access to materials databases☆104Feb 6, 2026Updated last month
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- ☆10Sep 26, 2025Updated 5 months ago
- Agent-based sequential learning software for materials discovery☆62Feb 7, 2024Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Mar 14, 2026Updated last week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆462Sep 27, 2025Updated 5 months 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
- Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.☆45Aug 13, 2019Updated 6 years ago
- Machine learning molecule graphs from atomic force microscopy images.☆13May 25, 2023Updated 2 years ago
- Simmate: a full-stack framework for chemistry research.☆36Mar 16, 2026Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆14Jan 23, 2026Updated last month
- Generate isosurface from density data☆14Mar 7, 2026Updated 2 weeks ago
- A general parser for VASP☆15Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 2 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.☆18Jan 23, 2026Updated last month
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year