materialsvirtuallab / veidt
Veidt is a deep learning library for materials science.
☆18Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for veidt
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆25Updated 3 years ago
- Python library written in C++ for calculation of local atomic structural environment☆57Updated 2 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆33Updated 3 months ago
- ☆20Updated 5 years ago
- The Element Movers Distance for chemical composition similarity☆31Updated 2 weeks ago
- Some ongoing projects in Zhu's group☆26Updated 7 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆49Updated last week
- high dimensional neural network potential☆19Updated last year
- tools for machine learning in condensed matter physics and quantum chemistry☆34Updated 2 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆19Updated last week
- Course materials for NANO 106 - Crystallography of Materials☆33Updated 2 years ago
- ☆24Updated last year
- Examples of using the Atomic Simulation Environment☆28Updated 8 years ago
- An algorithm to match crystal structures atom-to-atom☆51Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆15Updated 5 months ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 11 months ago
- ☆20Updated last year
- a Python3 library for ML modeling materials properties☆11Updated 5 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆17Updated 2 months ago
- ASE density-functional tight-binding calculator☆63Updated 2 weeks ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆27Updated 3 years ago
- TDEP Tutorials☆20Updated last year
- NIST Interatomic Potential Repository property calculation tools☆9Updated last month
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated last year
- Deep learning for crystal-structure recognition and analysis of atomic structures☆39Updated 8 months ago
- materialsvirtuallab / Data-driven-First-Principles-Methods-for-the-Study-and-Design-of-Alkali-Superionic-ConductorsJupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆10Updated 4 years ago
- ☆37Updated 2 weeks ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆20Updated last year
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 4 years ago
- A package for density functional approximation using machine learning.☆23Updated 4 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆55Updated last year