mpes-kit / fullerLinks
Probabilistic machine learning for reconstruction and parametrization of electronic band sturcture from photoemission spectroscopy data
☆13Updated 3 months ago
Alternatives and similar repositories for fuller
Users that are interested in fuller are comparing it to the libraries listed below
Sorting:
- Curatable database for experimental and theoretical data on solid materials.☆13Updated 4 months ago
- Julia Bindings for Atomic Simulation Environment☆38Updated 5 years ago
- ☆17Updated 10 months ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated last year
- ☆42Updated last week
- Tutorial to learn basic features of atomate2☆15Updated last year
- Material of the seminar "Julia for Materials Modelling"☆30Updated 2 years ago
- On-the-fly generator of space-group irreducible representations☆56Updated this week
- ☆17Updated 4 months ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- ☆22Updated 6 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆35Updated 3 weeks ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 2 months ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆23Updated last week
- ☆30Updated 2 months ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆30Updated 4 years ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆35Updated 3 years ago
- Parameterisation of Equivariant Properties of Particle Systems☆66Updated last year
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆33Updated last week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Updated last year
- Draft for my book about implementing density functional theory☆20Updated 10 months ago
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniques☆23Updated last week
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- A Basic Symmetry Module (Python)☆17Updated 2 months ago
- Agent-based sequential learning software for materials discovery☆62Updated 2 years ago
- Library for computing anisotropy extension to SOAP descriptors☆11Updated last week
- PyTorch Autodiff DFT-D4 Implementation.☆23Updated 2 weeks ago
- many-body perturbation theory without empty states☆12Updated 7 years ago