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dependencies #5

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peterkasson opened this issue Jan 24, 2022 · 1 comment
Open

dependencies #5

peterkasson opened this issue Jan 24, 2022 · 1 comment

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

@raymondlanger raymondlanger mentioned this issue May 25, 2024
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@peterkasson @MarioKrenn6240