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)

writeCompressedPredictions(msgin)

sendCSV(worker_id)

registerLogFilename()

cleanUp()

schrodinger.active_learning.mq_driver.safe_open_file_limit()

Get the maximum number of open files that can be safely opened without exceeding the soft limit set by the OS. The number of open files is capped at 10,000 to prevent memory issues.

schrodinger.active_learning.mq_driver.open_csv_reader(filepath)

al_utils.my_csv_reader but ensures the file is closed after reading.

schrodinger.active_learning.mq_driver.safe_float_conversion(value)

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) → Namespace

schrodinger.active_learning.mq_driver.get_job_spec_from_args(argv: Namespace) → 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: JobSpecificationArgsBuilder, options: Namespace)

schrodinger.active_learning.mq_driver.main()