henniggroup / symbolic-regression-utilitiesLinks
☆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
Sorting:
- An interactive viewer☆14Updated 5 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Random symmetric initialization of crystals☆23Updated 7 years ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated 2 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- ☆22Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆26Updated 9 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆14Updated last year
- High-throughput DFT of MOFs using ASE/VASP☆29Updated 2 years ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 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
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆39Updated last week
- ☆72Updated 2 years ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆20Updated this week
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 3 weeks ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- A set of tools and structures for modelling perovskite polytypes☆12Updated 2 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆13Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 6 months ago
- ☆17Updated 4 years ago