CodingWZL / AlphaMatLinks
☆11Updated last year
Alternatives and similar repositories for AlphaMat
Users that are interested in AlphaMat are comparing it to the libraries listed below
Sorting:
- ☆18Updated 3 years ago
- Data Science for Materials Science☆65Updated 3 weeks ago
- ☆12Updated last year
- Project to setup and analyze interface calculations using density functional theory.☆23Updated 2 months ago
- The latest documentation for the Materials Project.☆12Updated last week
- a python package for reduced density matrix techniques☆16Updated 5 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated this week
- General purpose tools for high-throughput catalysis☆98Updated 6 months ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆93Updated 4 months ago
- Ideal Adsorbed Solution Theory☆59Updated 4 years ago
- Automatic generation of crystal structure descriptions.☆125Updated this week
- PyTorch Autodiff DFT-D4 Implementation.☆22Updated this week
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆16Updated last month
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated 2 months ago
- ☆14Updated 2 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆116Updated last year
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆105Updated 3 weeks ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆63Updated this week
- ☆11Updated 2 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Some examples of using pymatgen code☆23Updated last year
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆71Updated 4 months ago
- ☆31Updated 2 years ago
- A Python module for scripting with Q-Chem☆14Updated 3 years ago
- Extended DeepH (xDeepH) method for magnetic materials.☆40Updated 2 years ago
- AlabOS: Managing the workflows in the Autonomous lab☆46Updated 3 months ago
- Agent-based sequential learning software for materials discovery☆63Updated last year
- Python Materials Discovery Framework☆75Updated last year
- ☆21Updated last year
- The course materials for "Machine Learning in Chemistry 101"☆84Updated 5 years ago