materialyzeai / nano281Links
Data Science for Materials Science
☆66Updated last week
Alternatives and similar repositories for nano281
Users that are interested in nano281 are comparing it to the libraries listed below
Sorting:
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- Deep learning framework for atomistic image data☆34Updated 4 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- New version of dft-book for Quantum Espresso☆47Updated 5 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- Generate random alloys and compute various properties☆64Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- high dimensional neural network potential☆22Updated 3 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- The materials for the Fall ML in Materials course at the UTK MSE☆88Updated 2 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- Project to setup and analyze interface calculations using density functional theory.☆23Updated 4 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆29Updated 4 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 4 months ago
- ☆73Updated 2 years ago
- Defect analysis modules for pymatgen☆61Updated this week
- Tutorials for using the pymatgen library☆63Updated 7 months ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆93Updated 6 months ago
- materialyzeai / 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…☆12Updated 5 years ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- ☆45Updated 5 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆38Updated 3 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- A Python library and command line interface for automated free energy calculations☆86Updated 3 weeks ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week