Calculates the geometry indices tau_4, tau_5 and O and shape measures (CShM) from crystallographic information file (CIF)

This code implements a deep neural network for image classification using the CIFAR-10 dataset. It includes various layers, optimizations, and advanced techniques.

This script allows you to recode the B-factor column of a PDB/CIF file with any values. This is useful for using molecular visualisation programs like PyMOL, to color proteins, for example using PyMOL's spectrum function to recolor a protein according to mutational effects.

PyCIFTer - A Research project analyzing the structural properties of TFSI anions using CIF files.

CIFv4 Python SDK for use with verbose-robot

Librería en Python para la validación y generación de documentos de identidad españoles (DNI, NIE, CIF, NIF), así como la creación de nombres y personas ficticias válidas para entornos de desarrollo, QA y pruebas automatizadas.

Scripts to faciliate programmatic dimer and cluster generation with CLUSTERGEN

Normalization of Hirshfeld surface fingerprint maps, quantification and display of pairwise differences of them.

A concept study to retrieve at least some of the .cif-relevant data from structurefinder's .sqlite database file.

The FASTEST way to parse timestamps.

A Cortex Responder for submitting artifacts to CIFv3

An interactive Python application to preprocess, filter, extract info from .cif files

Online application for creating supercells and random point defects in crystal structures

Tools for (P)XRD prediction

The FASTEST way to query Spamhaus XEN and DBL lists.

elasticsearch store plugin for CIFv4

CIF2Dist is a python application to calculate the number and distance of coordination spheres of atoms in a lattice based on a cif.

Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.

The FASTEST way to regex an indicator.