Anjali Setiya

Results 7 issues of Anjali Setiya

## Description ## Reproducible example ## Environment info LightGBM version or commit hash: ```shell ``` ## Additional Comments

question

Hello I want to know if the library is compatible on GPU? The PadelPy library on CPU is quite slow to generate fingerprints of around ~10000 molecules it takes me...

enhancement
help wanted

Hi! I was reading research papers that have used mlxtend StackingCVClasssifier for stacking purpose. When these papers report prediction on test set they say that, In the testing set, five-fold...

Documentation

I can't find any documentation on how do install this package in python. Can you please let me know?

how do i use your tool in python to predict the toxicity of new compounds?

Hi all I'm interested in generating contact maps from the ESM2 attention heads as described in the following github notebook: https://github.com/facebookresearch/esm/blob/main/examples/contact_prediction.ipynb. But it is not clear to me if I...

I am trying to follow the tutorial on contact prediction from esm example files https://github.com/facebookresearch/esm/blob/main/examples/contact_prediction.ipynb but i have some multimeric proteins also, as there is not much info available for...