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tiwarylab / GrASP

Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
MIT License
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Hard-coded number of cores #9

Open JavierSanchez-Utges opened 8 months ago

JavierSanchez-Utges commented 8 months ago

The number of cores is hard coded and if unchanged, the execution might get killed: https://github.com/tiwarylab/GrASP/blob/75986d71441a589adbddffbf847ccc613eb89bbd/parse_files.py#L694

Perhaps it would be better if there was an argument to specify this, or warn the user on the README.

It happened to me, now edited the code to use 8 cores, and all good.

Thanks!