cod-developers / cod-tools
Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)
☆19Updated 5 months ago
Related projects ⓘ
Alternatives and complementary repositories for cod-tools
- Crystal structure container and parsers for structure formats.☆34Updated last week
- Free Objects for Crystallography : Fox / ObjCryst++☆23Updated 2 months ago
- Python toolkit for molecular dynamics analysis☆24Updated this week
- Tools related to X-ray absorption spectroscopy (XAS)☆17Updated 4 months ago
- MongoDB aggregation machine☆38Updated this week
- A universal file format for gas adsorption experiments☆14Updated 3 months ago
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆14Updated 3 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated 8 months ago
- A graph database tool for experimental data in materials science and chemistry.☆16Updated last year
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆19Updated last week
- Set of scripts for working with Topas☆14Updated last year
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆11Updated 5 years ago
- A NOMAD plugin containing base sections for measurements.☆14Updated this week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆15Updated 3 weeks ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆15Updated 6 months ago
- Implements core functions for AiiDAlab.☆15Updated last month
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- Reads crystallographic cif files and simulates diffraction☆58Updated this week
- LAMMPS plugin for AiiDA☆25Updated this week
- More efficient and faster version of pyscal☆18Updated 2 months ago
- ase interface for Quantum Espresso☆21Updated 3 years ago
- ASE density-functional tight-binding calculator☆63Updated 3 weeks ago
- Tool for finding atomic environments in crystal structures☆21Updated 4 months ago
- ☆19Updated this week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated last week
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- Python library written in C++ for calculation of local atomic structural environment☆57Updated 2 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆20Updated last year
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆25Updated 2 months ago
- The ELN custom schemas from synthesis experiments☆11Updated this week