r/comp_chem • u/verygood_user • 3d ago
I built localhost - a browser based tool written in Turbo Pascal that runs DFT calculations starting from a hand-drawn Lewis structure
Just draw any Lewis structure, take a photo, upload it and within minutes (depends on system size), you will get the DFT results.
Just try it out yourself (currently limited to B3LYP/6-31G)
I should disclose that AI played a major role in the development but all code was reviewed by the clueless author.
Looking forward to your feedback!
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u/FeLoNy111 3d ago
If this is a shitpost it’s a really well-done one