materialyzeai / matgenbLinks
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
☆273Updated last week
Alternatives and similar repositories for matgenb
Users that are interested in matgenb are comparing it to the libraries listed below
Sorting:
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- A code to generate atomic structure with symmetry☆353Updated this week
- Heavyweight plotting tools for ab initio calculations☆239Updated 8 months ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆133Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆230Updated last week
- Public repo for Materials API documentation☆143Updated 3 years ago
- A suite of computational materials science tools.☆141Updated last year
- New ASE compliant Python interface to VASP☆138Updated this week
- atomate2 is a library of computational materials science workflows☆265Updated this week
- Solvation model for the plane wave DFT code VASP.☆171Updated 3 months ago
- A Python package for manipulating atomistic data of software in computational science☆241Updated 3 weeks ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆446Updated last week
- n2p2 - A Neural Network Potential Package☆240Updated 10 months ago
- An automatic engine for predicting materials properties.☆169Updated 2 years ago
- A Python library for electronic structure pre/post-processing☆199Updated last week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆377Updated this week
- Things that you should (and should not) do in your Materials Informatics research.☆196Updated 2 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆179Updated 2 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆185Updated 2 weeks ago
- Materials science with Python at the atomic-scale☆228Updated last week
- Phonon code☆450Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆135Updated 3 months ago
- Electronic transport properties from first-principles calculations☆158Updated 2 weeks ago
- ☆232Updated 5 years ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆237Updated this week
- A toolkit for visualizations in materials informatics.☆294Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 3 months ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆114Updated last year
- Manipulating VASP files with Python.☆290Updated 3 years ago