File size: 1,858 Bytes
b2cb4a0 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 | #!/usr/bin/env python
#
# For licensing see accompanying LICENSE file.
# Copyright (c) 2025 Apple Inc. Licensed under MIT License.
#
import argparse
import multiprocessing
import sys
from pathlib import Path
ROOT = Path(__file__).resolve().parents[1]
if str(ROOT) not in sys.path:
sys.path.insert(0, str(ROOT))
from modules.datapipes.simplefold.process_mmcif import process
if __name__ == "__main__":
parser = argparse.ArgumentParser(description="Process MMCIF data.")
parser.add_argument(
"--data_dir",
type=Path,
required=True,
help="The directory containing the MMCIF files.",
)
parser.add_argument(
"--out_dir",
type=Path,
default="data",
help="The output directory.",
)
parser.add_argument(
"--num-processes",
type=int,
default=multiprocessing.cpu_count(),
help="The number of processes.",
)
parser.add_argument(
"--redis-host",
type=str,
default="localhost",
help="The Redis host, only used with --use-redis.",
)
parser.add_argument(
"--redis-port",
type=int,
default=7777,
help="The Redis port, only used with --use-redis.",
)
parser.add_argument(
"--use-redis",
action="store_true",
help="Use an external Redis CCD resource instead of local weight/ccd.pkl.",
)
parser.add_argument(
"--ccd-path",
type=Path,
default=ROOT / "weight" / "ccd.pkl",
help="Path to the local CCD pickle file.",
)
parser.add_argument(
"--use-assembly",
action="store_true",
help="Whether to use assembly 1.",
)
parser.add_argument(
"--max-file-size",
type=int,
default=None,
)
args = parser.parse_args()
process(args)
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