cod-developers / cod-tools
Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)
☆20Updated last month
Alternatives and similar repositories for cod-tools:
Users that are interested in cod-tools are comparing it to the libraries listed below
- A one-stop-shop for handling data in computational spectroscopy☆16Updated last month
- Implements core functions for AiiDAlab.☆16Updated 2 months ago
- ☆29Updated last week
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 2 months ago
- Library for Crystal Symmetry in Rust☆43Updated last week
- ☆19Updated 2 weeks ago
- Tools related to X-ray absorption spectroscopy (XAS)☆18Updated 8 months ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆21Updated 3 weeks ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated 10 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆42Updated 6 months ago
- Yet Another extended Hueckel Molecular Orbital Package☆21Updated this week
- Crystal structure container and parsers for structure formats.☆35Updated 4 months ago
- A graph database tool for experimental data in materials science and chemistry.☆16Updated 2 months ago
- ASE density-functional tight-binding calculator☆63Updated 2 months ago
- ☆19Updated 2 weeks ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆50Updated last month
- LAMMPS plugin for AiiDA☆25Updated last week
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆25Updated last week
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- Debye's scattering equation & other analysis of atomistic models.☆52Updated last year
- Tool for finding atomic environments in crystal structures☆21Updated 8 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆65Updated this week
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Updated 2 weeks ago
- The Element Movers Distance for chemical composition similarity☆33Updated last week
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Updated 6 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆43Updated 2 weeks ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆20Updated last year
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆31Updated last year