SergeiVKalinin / MSE_Fall2023
The materials for the Fall ML in Materials course at the UTK MSE
☆82Updated 11 months ago
Related projects ⓘ
Alternatives and complementary repositories for MSE_Fall2023
- The materials for the Spring Mathematics in Materials course at the UTK MSE☆48Updated 6 months ago
- ☆121Updated last year
- Data Science for Materials Science☆58Updated 9 months ago
- A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/☆67Updated 3 months ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆31Updated 2 years ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆55Updated last month
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆15Updated this week
- Code to help you get started using machine learning in materials science☆15Updated 5 years ago
- New version of dft-book for Quantum Espresso☆42Updated 4 years ago
- The summer training course on the Bayesian Optimization☆22Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated this week
- LAMMPS input from lammpstutorials.github.io☆29Updated 2 months ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- Agent-based sequential learning software for materials discovery☆60Updated 9 months ago
- Course materials for "Applied AI for Materials Science and Engineering"☆59Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆46Updated 10 months ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆59Updated this week
- A Python library and command line interface for automated free energy calculations☆71Updated 3 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆80Updated last week
- Deep learning framework for atomistic image data☆29Updated 3 months ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆55Updated 3 months ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆80Updated last month
- A Python library for building atomic neural networks☆107Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆37Updated last week
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆34Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆57Updated 2 months ago
- ☆20Updated 6 months ago
- Heat capacity predictor for porous materials☆13Updated 5 months ago
- Machine Learning Interatomic Potential Predictions☆87Updated 9 months ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆26Updated 3 months ago