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aspuru-guzik-group / Pasithea

Deep Molecular Dreaming
MIT License
24 stars 7 forks source link

dependencies #5

Open peterkasson opened 2 years ago

peterkasson commented 2 years ago

Apologies if I'm missing it, but would it be possible to add a statement of dependencies? From a quick look at the code, it looks like Selfies, Pytorch, Numpy, RDKit?

Thanks!

MarioKrenn6240 commented 1 year ago

Yes, it requires SELFIES (this specific code was developed with SELFIES v1.0.x, higher version needs modification), numpy, pytorch, pandas, RDKit.