Graphormer icon indicating copy to clipboard operation
Graphormer copied to clipboard

Missing training scripts for proteins and protein-ligands

Open Curtis-Wu opened this issue 1 year ago • 4 comments

Hi,

I noticed that there are only training scripts for property-guided and adsorbate-catalyst but no scripts for training the protein and the protein-ligand model. Would you please kindly fix the issue? Thanks a lot!

Curtis-Wu avatar May 16 '24 03:05 Curtis-Wu

Our current plan is to only provide the inference scripts and checkpoints for proteins and protein-ligands models.

shiyu1994 avatar May 16 '24 16:05 shiyu1994

Thanks for the clarification! However, I noticed that the inference script is also currently not available as a file supposedly named ./examples/diffusion/train_cli.sh and used for inference is missing from the repository.

Our current plan is to only provide the inference scripts and checkpoints for proteins and protein-ligands models.

Curtis-Wu avatar May 17 '24 02:05 Curtis-Wu

@shiyu1994 @volltin can you please check the missing script?

amrhamedp avatar May 25 '24 07:05 amrhamedp

@Curtis-Wu Hi Did you download the datasets and checkpoints successfully, the token expired in May because of Microsoft policy. I wonder would you mind share what you have downloaded? Thanks very much!

LifeWorks avatar Aug 02 '24 00:08 LifeWorks