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wwang2 avatar wwang2 commented on August 19, 2024 1

Thanks @aksub99 . That was just my a suggestion, but thanks for considering it!

topazape/molecular-VAE is built from cxhernandez/molencoder according to the README.

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aksub99 avatar aksub99 commented on August 19, 2024

Hi,

Thanks for pointing this out @wwang2. I had lost track of this repo's origin since I had created it a couple of years ago. It indeed would have been better off being a fork since I have reused a good portion of topazape/molecular-VAE. I'll add a line to the README citing the original repo and directing future users there.

And thanks for letting me know about the bug fix! That's a great find.

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aksub99 avatar aksub99 commented on August 19, 2024

@wwang2 I wasn't aware of the cxhernandez/molencoder repository. Since I haven't directly re-used any code from there, do you still think it should be cited?

But I do recall that I had used code from https://github.com/maxhodak/keras-molecules to preprocess the dataset. So, will add in a citation to keras-molecules as well.

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