Find out about Mohamad's datasets

globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC

MIT License

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Closed WardLT closed 8 months ago

WardLT commented 1 year ago

There are things besides HMOF we should be using to train our generators.

williamyxl commented 1 year ago

ARC MOF (https://pubs.acs.org/doi/10.1021/acs.chemmater.2c02485) covers many DFT and GCMC validated MOFs. They combined a lot of databases. We could try a subset of their's work.

WardLT commented 8 months ago

Closing this reference for now