Benjamin Sanchez

This works for the newest ubuntu 17.04...but if you are using anything below (16.10)...you are stuck and still have to deal with this problem.

Not fixed, updated to ubuntu 17.04 which uses 1.2.0-1build1 and it is still not working. Can provide screenshot and console messages is needed.

we will be updating the repo soon, we expect these changes to be incorporated by monday, latest tuesday...stay tuned, they will fix these issues.

Hi @DavidWalz, We wrapping work on gpmol and should have open-sourced soon (end of June), the delay has been mostly life-stuff...we definitely want it to be shared, improved and reproduced.

definitely, will have a usable dependency in 1 week approx, along with an improved model (multioutput gp, deep gp). Thanks for the patience.

Thanks for your interest, I'll aim to put the code up next Friday (~21)! On Thu, Feb 13, 2020 at 11:24 AM ignaczgerg wrote: > Hey! Is there any news...

Hi, the most recent edits (march '22) (notebooks 0 to 3) and gphsp.py cover all code required to generate features/train models and predict without requiring gpmol. The closest thing to...

hi Abrusan, I think the problem might be that the noise level is too high. Searching for molecules from random vectors that are 50-200 STD (z-distance wise) is huge. Each...

Hi Simone, the AI software stack moves really fast so I imagine some library is deprecated, you can probably find more up-to date reference implementations on github. Either for the...

>One thing that may be nice to add or at reference is this article which talks about the equivalence between Transformers and GNNs https://graphdeeplearning.github.io/post/transformers-are-gnns/. I thought about this when Transformers...