openkinome / kinoml

Structure-informed machine learning for kinase modeling
https://openkinome.org/kinoml/
MIT License
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Allow environment variable to set number of threads to use #99

Open jchodera opened 2 years ago

jchodera commented 2 years ago

We should add a feature to our training notebooks to check if an environment variable is set (e.g. KINOML_NUM_THREADS), and if so, call `torch.set_num_threads() with the appropriate number of threads. This will allow us to better work within batch queue systems.