materialsvirtuallab / matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
☆240Updated 8 months ago
Alternatives and similar repositories for matgenb:
Users that are interested in matgenb are comparing it to the libraries listed below
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆251Updated 8 months ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆107Updated last week
- The Materials Project Workshop Curriculum☆114Updated 2 years ago
- A code to generate atomic structure with symmetry☆301Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆168Updated last week
- Public repo for Materials API documentation☆140Updated 2 years ago
- An automatic engine for predicting materials properties.☆152Updated last year
- A Python package for manipulating atomistic data of software in computational science☆207Updated this week
- Heavyweight plotting tools for ab initio calculations☆218Updated last week
- atomate2 is a library of computational materials science workflows☆197Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆402Updated this week
- New ASE compliant Python interface to VASP☆127Updated 2 years ago
- Phonon code☆382Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆291Updated 2 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆153Updated this week
- A suite of computational materials science tools.☆135Updated 11 months ago
- Solvation model for the plane wave DFT code VASP.☆148Updated 8 months ago
- A toolkit for visualizations in materials informatics.☆197Updated this week
- Graph deep learning library for materials☆320Updated this week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆358Updated 5 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆164Updated this week
- n2p2 - A Neural Network Potential Package☆234Updated this week
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆99Updated 5 years ago
- Open-source library for analyzing the results produced by ABINIT☆120Updated this week
- A Python library for electronic structure pre/post-processing☆178Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆164Updated 2 months ago
- ☆205Updated 4 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆422Updated 3 months ago
- Python package to analyse electron density & electrostatic potential grids☆86Updated last year
- Python package to aid materials design and informatics☆105Updated this week