William Finnigan

google colab

16

Hi, great package! I was wondering if you had any tips for getting the graph to load in google colab. Currently, I get 'localhost refused to connect' as an error.

UCB formula question

1

Hey Samual and team, Thanks for this awesome work. Just a quick question about your UCB formula. I've seen the UCB1 formula written as `wi/ni + c*sqrt(ln(N)/ni)`. But in your...

Rule not applied when I think it should be.

4

Hi, Nice project. I've got quite a simple rule I'd like to apply which has no chirality specified. `[#6:4][#8:6][#6:2](=[O:3])[#6:1] >> [#6:4][#6:2](=[O:3])[#6:1]` This works fine in most cases, but not for...

Dealing with non-uniform distributions, and implement other SA methods.

2

Currently only the Sobol Sensitivity Analysis is implemented through SALib. Implement other methods? SALib only takes uniform distributions, so using other distributions is a bit of a problem? If we...

Running in a Jupyter notebook works nicely. Running as a .py causes my computer to freeze due to insane cpu usage.

3

Running MolScribe in a Jupyter notebook works nicely for me. Running the same code as a .py causes my computer to freeze due to insane cpu usage. Running this piece...

### Bug Getting a AttributeError: module 'torch.compiler' has no attribute 'is_compiling' error which is caused by a function call in the transformers library. Downgrading to transformers-4.44.2 fixed this for me....