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ChemCryst

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Chemical Crystallography

1 follower
http://www.xtl.ox.ac.uk/

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crystals crystals Public

Refinement and analysis of structures against single crystal diffraction data

Roff 2 1

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All Fortran Jupyter Notebook Python Roff TypeScript

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Showing 8 of 8 repositories

crystals Public
Refinement and analysis of structures against single crystal diffraction data

ChemCryst/crystals's past year of commit activity

Roff 2 1 11 4 Updated Nov 13, 2025
code-sign-action Public Forked from Dana-Pr/code-sign-action
Action that signs libraries with a code signing certificate.

ChemCryst/code-sign-action's past year of commit activity

TypeScript 0 70 0 0 Updated Jul 22, 2021
crystals-teach Public
Clone of crystals repo, to be modified for use in teaching practical

ChemCryst/crystals-teach's past year of commit activity

Fortran 0 0 0 0 Updated Nov 1, 2020
NBcrystallography Public
Testing notebooks to explain bits of crystallographic maths

ChemCryst/NBcrystallography's past year of commit activity

Jupyter Notebook 0 0 0 0 Updated Aug 27, 2020
will-it-crystallize Public
Data and scripts for J. Wicker's 2015 Will It Crystallize analysis

ChemCryst/will-it-crystallize's past year of commit activity

Python 0 CC-BY-4.0 0 0 0 Updated Jun 9, 2020
HBNDmodel Public Forked from apfrade/hbnd_model
Hydrogen bond network dimensionality predictive model package

ChemCryst/HBNDmodel's past year of commit activity

Python 0 MIT 1 0 0 Updated Jan 17, 2020
ConfidenceMeasure Public Forked from apfrade/ConfidenceMeasure
Confidence system package for classification models

ChemCryst/ConfidenceMeasure's past year of commit activity

Python 0 MIT 1 0 0 Updated Jan 16, 2020
DetOx Public
Extract individual absorption profiles from mixed oxidation state materials

ChemCryst/DetOx's past year of commit activity

0 0 0 0 Updated Oct 24, 2018

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