automatminer
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automatminer_dev workflow improvements
E.g., a method of MatPipe.
Takes in execution options (e.g., featurization and tpot in separate fireworks vs. everything in one firework) and returns a fireworks workflow to execute it. Should also take in the path to a data file on the executing computer resource, to actually run the workflow on.
Edit:
todo
- [ ] add a workflow for predicting properties to benchdev
could be simple (i.e., not as complex as what is on hmprivate)
def get_benchmarking_wf(matpipe_config, data_file, target, kfold, save_dir):
returns wf
Then just saves all dfs, pipes, logs, digests, and text summaries in hmprivate style in the save_dir
merging this issue with #227
Todo:
- separate the workflow into one firework for each of the 4 operations
- make and test a workflow for single fits