microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Missing file train_cli.sh #185

Closed Mochimo-mo closed 4 months ago

Mochimo-mo commented 5 months ago

Hi, I'm currently trying to run protein-ligand part in DIG, but I encountered an error while attempting to run single_datapoint_sampling.sh. I discovered that the issue seems to stem from a missing ./examples/diffusion/train_cli.sh file. Could you kindly advise me on where I might obtain this file? Thank you very much for your assistance.

pvrancx commented 4 months ago

same error. distributional_graphormer/protein-ligand/src/evaluation/single_datapoint_sampling.sh script tries to call this missing file

volltin commented 4 months ago

Hi @Mochimo-mo and @pvrancx, Thanks for pointing this out. The missing train_cli.sh file has been added in #193 . Please update your repo to the latest commit to resolve the issue.