21 dependents
Package Description Downloads/month
Crystal structure container and parsers for structure formats. 26K
orix is an open-source Python library for handling crystal orientation mapping d... 24K
7K
Data structures, algorithms, and parsing for crystallography 7K
Reusable widgets for AiiDAlab applications 5K
Molsystem provides a general class for handling molecular and periodic systems 3K
Construct a unit cell from CIF data 2K
SOVA (Structural Order Visualization and Analysis) with python 2K
A fast and accurate model to estimate DFT quality partial atomic charges of peri... 2K
GUI program for reduction and exploration of 2D X-ray diffraction data 1K
Single Crystal and Powder Diffraction Tool 858
SHRY (Suite for High-throughput generation of models with atomic substitutions i... 755
A program for visualising diffraction data in pdCIF format. 536
set of scripts for calculating linear and nonlinear optical properties of organi... 454
Prepare ice structure from Zeolite DB and other CIF files. 421
PyExafs is designed to facilitate the automated quality assessment of X-ray Abso... 369
Python tools for mining Protein Residuals from Fulltext articles using PMC numbe... 286
AiiDA plugin for use with GULP 196
Code for the analysis of intermolecular interactions based on CSD structural dat... 116
108
Fast Diffraction Analysis Tool 41