henniggroup / symbolic-regression-utilities
☆11Updated 4 years ago
Alternatives and similar repositories for symbolic-regression-utilities:
Users that are interested in symbolic-regression-utilities are comparing it to the libraries listed below
- ☆20Updated last year
- An interactive viewer☆14Updated 4 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆26Updated 3 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated 2 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- A Python package for enhancing VASP AIMD simulations and analysis☆13Updated this week
- Some ongoing projects in Zhu's group☆28Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last year
- ☆11Updated 5 years ago
- TB3Py: Two- and three-body tight-binding calculations for materials☆17Updated 6 months ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated last month
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆15Updated last year
- Random symmetric initialization of crystals☆21Updated 7 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 8 months ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆24Updated 2 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆11Updated 2 months ago
- ☆19Updated 3 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 8 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆18Updated 6 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆16Updated 2 months ago
- A code to compute the radial distribution function☆20Updated 6 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- Tutorial exercises for the OPTIMADE API☆15Updated last year