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
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- Random symmetric initialization of crystals☆23Updated 7 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated last month
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- VASP Integrated Supporting Environment☆24Updated 4 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 7 months ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆19Updated 2 years ago
- A tool for calculating distortion parameters in coordination complexes.☆16Updated 6 months 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
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated 2 weeks ago
- A set of tools and structures for modelling perovskite polytypes☆12Updated 2 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆14Updated last year
- Phonons from ML force fields☆23Updated 3 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Updated last year
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- ☆22Updated 2 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
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 9 months ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year