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Data and code for optimization of bond valence parameters in metalorganics

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Version 3 2016-12-01, 06:45
Version 2 2014-03-19, 02:27
Version 1 2014-03-18, 03:35
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posted on 2016-12-01, 06:45 authored by Karol M. LangnerKarol M. Langner, Heping Zheng

Data and code used to optimize bond valence parameters for a filtered subset of metal-organics from the Cambridge Structural Database (CSD).

 

These files were import into Figshare as a snapshot of selected files from a repository on github (see link below).

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    bond valence modelCheminformatics

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