dakoner

Top-level dir is not a module

4

I've been trying to package up keras-molecules as a module so I can run it on Google Cloud Machine Learning. Unfortunately, the top-level of keras-molecules (with train.py etc) isn't really...

Preprocess uses too much RAM

21

preprocess.py loads the entire pre-preprocessed data into RAM, does transforms that require more RAM. I'm trying to preprocess GDB-17 w/ 50M SMILES strings and it's just about filling up my...

The k8s executor depends on a feature added in k8s v1.24: https://kubernetes.io/docs/tasks/job/indexed-parallel-processing-static/ When I run a job on my EKS cluster using defaults (where max_array_size > 1), which is running...