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Chemical Crystallography (ChemCryst)

Chemical Crystallography

ChemCryst

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Home Page:http://www.xtl.ox.ac.uk/

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Chemical Crystallography's repositories

crystals

Refinement and analysis of structures against single crystal diffraction data

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code-sign-action

Action that signs libraries with a code signing certificate.

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ConfidenceMeasure

Confidence system package for classification models

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crystals-teach

Clone of crystals repo, to be modified for use in teaching practical

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DetOx

Extract individual absorption profiles from mixed oxidation state materials

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HBNDmodel

Hydrogen bond network dimensionality predictive model package

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NBcrystallography

Testing notebooks to explain bits of crystallographic maths

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will-it-crystallize

Data and scripts for J. Wicker's 2015 Will It Crystallize analysis

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