Questions tagged [databases]

For questions about finding and using databases of material and molecular properties.

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What are good protocols for creating a database based on python?

I am aware of software tools such as atomate, but that is quite specific to crystals. There are other equally specific workflows - I think we all have our own... What I am interested in is making my ...
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Large compound/material dataset with physical and chemical properties?

I'm looking for a fairly large (>100k) dataset of chemical compounds (and materials) that also has physical and chemical properties (such as boiling point, conductivity, solubility, etc.). I've ...