qm9_argparser.py

# Copyright (c) 2020 Graphcore Ltd. All rights reserved.


"""Config for QM9 runs"""
import argparse


def get_argparser():
    parser = argparse.ArgumentParser(prog="QM9 IPU")
    parser.add_argument(
        "-l",
        "--learning-rate",
        default=1e-3,
        required=False,
        type=float,
        help="Learning rate for network parameter updates.",
    )
    parser.add_argument(
        "-n", "--num-ipus", default=4, required=False, type=int, help="Number of IPUs for data parallelism."
    )
    parser.add_argument(
        "-b",
        "--micro-batch-size",
        default=2,
        required=False,
        type=int,
        help="Number of samples used in one full forward/backward pass " "per IPU device.",
    )
    parser.add_argument("-e", "--epochs", default=100, required=False, type=int, help="How many epochs to train for.")
    parser.add_argument(
        "-a", "--amount", default=1024, required=False, type=int, help="How many QM9 molecules to load."
    )
    parser.add_argument(
        "-p",
        "--profile",
        action="store_true",
        required=False,
        help="Whether to profile code. NOTE: number of epochs "
        "and steps per epoch set to small values if this flag given.",
    )
    parser.add_argument(
        "-d", "--profile-dir", default="./qm9_profile", type=str, required=False, help="Where to store profile data."
    )
    return parser