schrodinger.active_learning.mq_driver module

class schrodinger.active_learning.mq_driver.Worker

Bases: object

__init__() → object

timestamp

csv_index

host

port

class schrodinger.active_learning.mq_driver.LigandMLZMQDriver(options)

Bases: object

__init__(options)

property config

run()

mainLoop()

recv(timeout=5.0)

sendCSV(worker_id)

registerLogFilename()

cleanUp()

schrodinger.active_learning.mq_driver.get_csv_header(fname: str) → list

Get the header of a csv file.

schrodinger.active_learning.mq_driver.construct_header(original_csv_file: str, output_csv_file: str) → tuple

Construct the header of the output csv file which contains the merged predictions. Merge original header with the last two columns (score, uncertainty) of individual prediction files.

schrodinger.active_learning.mq_driver.my_uuid()

Return a base64-encoded random UUID to use as worker ID or ping ID.

schrodinger.active_learning.mq_driver.sigterm_handler(signum, frame)

schrodinger.active_learning.mq_driver.parse_input(files_txt: str) → list

schrodinger.active_learning.mq_driver.get_parser()

schrodinger.active_learning.mq_driver.parse_args(argv: Optional[str] = None) → argparse.Namespace

schrodinger.active_learning.mq_driver.get_job_spec_from_args(argv: argparse.Namespace) → schrodinger.job.launchapi.JobSpecificationArgsBuilder

Parse command-line arguments, excluding the first three elements: sys.argv[0] # “run” sys.argv[1] # “python3” sys.argv[2] # “-m”

schrodinger.active_learning.mq_driver.register_inputs(jsb: schrodinger.job.launchapi.JobSpecificationArgsBuilder, options: argparse.Namespace)

schrodinger.active_learning.mq_driver.main()