I am following the chalenge: "How to predict many protein structures with AlphaFold2 at-scale in Azure Machine Learning"
https://colbyford.medium.com/how-to-predict-many-protein-structures-with-alphafold2-at-scale-in-azure-machine-learning-c1e0ece4e99f
I run the pipeline below:
from azureml.core import Experiment, ScriptRunConfig, Environment
from azureml.core.conda_dependencies import CondaDependencies
from azureml.train.hyperdrive import GridParameterSampling, RandomParameterSampling, HyperDriveConfig, PrimaryMetricGoal, choice
from azureml.widgets import RunDetails
## Create a Python environment for the experiment
alphafold2_env = Environment("alphafold2")
alphafold2_env.docker.base_image = "cford38/alphafold2_aml:latest"
alphafold2_env.python.user_managed_dependencies = True
## Create a script config
script_config = ScriptRunConfig(source_directory = ".",
*script='predict.py',*
*arguments = ['--msa_mode', "MMseqs2 (UniRef+Environmental)",*
*'--num_models', 1,*
*'--num_recycles', 3,*
*'--stop_at_score', 90],*
*environment = alphafold2_env,*
*compute_target = training_cluster)*
## Sample a range of parameter values
params = GridParameterSampling({ '--sequence_id': choice('alpha_b117_6xc2', 'beta_b1351_7vx1', 'delta_b1617_7v70', 'omicron_b11529_7t9j') })
## Configure hyperdrive settings
hyperdrive = HyperDriveConfig(run_config = script_config,
*hyperparameter_sampling = params,*
*policy = None,*
*primary_metric_name = 'complete',*
*primary_metric_goal = PrimaryMetricGoal.MAXIMIZE,*
*max_total_runs = 4,*
*max_concurrent_runs = 3)*
I receive the following notifications at the end:
ModuleNotFoundError Traceback (most recent call last)
Input In [10], in <cell line: 3>()
1 from azureml.core import Experiment, ScriptRunConfig, Environment
2 from azureml.core.conda_dependencies import CondaDependencies
----> 3 from azureml.train.hyperdrive import GridParameterSampling, RandomParameterSampling, HyperDriveConfig, PrimaryMetricGoal, choice
4 from azureml.widgets import RunDetails
6 ## Create a Python environment for the experiment
ModuleNotFoundError: No module named 'azureml.train'
It appears that "azureml.train" is an uninstalled module. But I did set it up.
Best