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 4 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆11Updated 3 weeks ago
- Random symmetric initialization of crystals☆21Updated 7 years ago
- 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 month
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 10 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated 3 months ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆12Updated 3 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Updated last year
- ☆20Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆17Updated last week
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated this week
- Visualizations☆13Updated 3 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 10 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆41Updated last year
- Some ongoing projects in Zhu's group☆28Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated 2 years ago
- A code to compute the radial distribution function☆20Updated 6 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆18Updated 2 years ago
- ☆18Updated 6 years ago
- 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
- TB3Py: Two- and three-body tight-binding calculations for materials☆17Updated 8 months ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆24Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- cif2cell compatible with Python 3+☆11Updated 2 years ago
- Quick tools for materials chemistry☆17Updated last year
- A tool for calculating distortion parameters in coordination complexes.☆16Updated last month