materialsproject / mapidocLinks
Public repo for Materials API documentation
☆143Updated 3 years ago
Alternatives and similar repositories for mapidoc
Users that are interested in mapidoc are comparing it to the libraries listed below
Sorting:
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆129Updated last week
- New ASE compliant Python interface to VASP☆134Updated 3 years ago
- Phonon anharmonicity analysis from molecular dynamics☆133Updated last month
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆107Updated 3 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆144Updated last month
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆106Updated 6 years ago
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- Derivative structure enumeration library☆80Updated last year
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆270Updated 2 weeks ago
- ☆73Updated 4 years ago
- Solvation model for the plane wave DFT code VASP.☆167Updated last month
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Updated 9 years ago
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- ☆111Updated 3 years ago
- ☆44Updated 7 years ago
- An automatic engine for predicting materials properties.☆167Updated 2 years ago
- A suite of computational materials science tools.☆141Updated last year
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆174Updated 2 weeks ago
- LAMMPS interface for phonon calculations using phonopy☆89Updated 2 weeks ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆222Updated this week
- Heavyweight plotting tools for ab initio calculations☆234Updated 6 months ago
- Atomic interaction potentials based on artificial neural networks☆126Updated 2 weeks ago
- ☆60Updated 3 years ago
- A grain boundary generation code☆78Updated 2 years ago