[Cod-bugs] A quick list of crystals with SMILES

[Quinny Campbell]

Hello,

I am Quinny, PhD student, and I'm working on developing AI tools to support crystallization works.

I'd love to access a quick list of all molecules in COD. Also, I'd like to get SMILES if it exists (I see that it's only a bit less than 250k so far). Is there an easy way to do this? I don't need ANY of cif files — just identifier, name, SMILES, and molecular formula. Preferably no duplicates, but I can deduplicate if needed.

I tried to obtain COD by downloading it via subversion. My disk space maximized out, as it is 158 GiB so far. I quickly realized that downloading the entire COD isn't the best solution. There's no way to do multiple queries quickly via web. What options do I have?

Thanks!
Quinny

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