materialsvirtuallab / nano281Links
Data Science for Materials Science
☆65Updated 3 weeks ago
Alternatives and similar repositories for nano281
Users that are interested in nano281 are comparing it to the libraries listed below
Sorting:
- 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…☆12Updated 5 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Tutorials for using the pymatgen library☆61Updated 5 months ago
- high dimensional neural network potential☆22Updated 2 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 5 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Generate random alloys and compute various properties☆61Updated 10 months ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆92Updated 3 months ago
- New version of dft-book for Quantum Espresso☆46Updated 5 years ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- ☆26Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- ☆45Updated 5 years ago
- A Set of Tutorials for the LAMMPS Simulation Package☆36Updated 3 weeks ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Updated 5 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- Some ongoing projects in Zhu's group☆28Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- The materials for the Fall ML in Materials course at the UTK MSE☆87Updated last year
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆38Updated 3 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated last week
- 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.☆37Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆69Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆84Updated 2 weeks ago