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Update codes.markdown
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aronwalsh authored Dec 11, 2023
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Expand Up @@ -23,7 +23,8 @@ A selection of tools we use, some we like, and others we develop. Also see our [
* [Pymatgen](http://pymatgen.org) powers [Materials Project](https://materialsproject.org) and [Matgenie](http://matgenie.materialsvirtuallab.org) with [Recipes](http://matgenb.materialsvirtuallab.org)

# Databases
* [CoRE-MOF](https://zenodo.org/record/3370144), [QMOF](https://github.com/arosen93/QMOF), [CoRE-COF](https://core-cof.github.io/CoRE-COF-Database), [Curated COFs](https://www.materialscloud.org/discover/curated-cofs), [ReDD-COFFEE](https://archive.materialscloud.org/record/2023.13)
* [CoRE-MOF](https://zenodo.org/record/3370144), [QMOF](https://github.com/arosen93/QMOF),
* [CoRE-COF](https://core-cof.github.io/CoRE-COF-Database), [Curated COFs](https://www.materialscloud.org/discover/curated-cofs), [ReDD-COFFEE](https://archive.materialscloud.org/record/2023.13)
* [Crystalium](http://crystalium.materialsvirtuallab.org)
* [Crystallography Open Database](http://www.crystallography.net/cod/)
* [CSD](https://www.psds.ac.uk/csd), [ICSD](https://www.psds.ac.uk/icsd)
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* [NIST-Jarvis](https://jarvis.nist.gov)
* [NREL Materials Database](https://materials.nrel.gov)
* [Open Quantum Materials Database](http://oqmd.org)
* [Optimade API](https://www.optimade.org)
* [2D Metal Halide Perovskites](http://www.pdb.nmse-lab.ru)

# Machine Learning Crystals
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* [PIEFACE](https://github.com/jcumby/PIEFACE)
* [PDynA](https://github.com/WMD-group/PDynA)
* [pyTilting](https://dwang5.github.io/PyTiltingDoc)
* [spglib](http://spglib.github.io/spglib/)
* [spglib](http://spglib.github.io/spglib)
* [Zeo++](http://www.zeoplusplus.org)

# Electronic Structure
* [BigDFT](http://bigdft.org)
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* [iFermi](https://github.com/fermisurfaces/IFermi)
* [kgrid](https://github.com/WMD-group/kgrid)
* [Lobster](http://www.cohp.de) and [LobsterPy](https://github.com/JaGeo/LobsterPy/tree/main)
* [Macrodensity](https://github.com/WMD-group/MacroDensity)
* [Macrodensity](https://github.com/WMD-group/MacroDensity)
* [Packmol](https://m3g.github.io/packmol/)
* [SetupKpoints](https://github.com/keeeto/SetupKpoints)
* [Sumo](https://github.com/SMTG-UCL/sumo)
* [Surfaxe](https://github.com/SMTG-UCL/surfaxe)
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