materialsproject / pymatgen-dbLinks
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
☆50Updated 3 weeks ago
Alternatives and similar repositories for pymatgen-db
Users that are interested in pymatgen-db are comparing it to the libraries listed below
Sorting:
- Defect analysis modules for pymatgen☆49Updated 2 weeks ago
- A plugin to AiiDA for running simulations with VASP☆56Updated 2 weeks ago
- ☆67Updated 2 years ago
- Site-Occupation Disorder☆41Updated 2 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated 4 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Materials Interface: methods in computational materials science☆25Updated 8 years ago
- A module for ASE for elastic constants calculation.☆44Updated 4 months ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- A Python library and command line interface for automated free energy calculations☆79Updated this week
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- A Python suite for manipulating VASP input and output☆46Updated last year
- ☆36Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated last month
- Band structure unfolding made easy!☆53Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last month
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated last week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆96Updated last week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- ☆42Updated 2 months ago
- Specification of a common REST API for access to materials databases☆90Updated 2 weeks ago
- Python package to analyse the structural dynamics of perovskites☆43Updated 6 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 7 months ago
- ASE density-functional tight-binding calculator☆67Updated 5 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆60Updated this week
- Python Cp2k interface☆95Updated 3 years ago