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Separate out the outputs for colabfold

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Kevin Wu
2022-09-04 13:13:58 -07:00
parent b33ecede32
commit a1edd2c36e
1 changed files with 5 additions and 2 deletions
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7
bin/colabfold_across_gpus.py
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@@ -55,8 +55,11 @@ def run_colabfold(input_a3m: Path, outdir: Path, gpu: int) -> None:
def run_colabfold_multi(input_a3m_files: List[Path], gpu: int, outdir: Path) -> None:
"""Runs each file in a different folder"""
for f in input_a3m_files:
run_colabfold(f, outdir, gpu)
this_outdir = outdir / os.path.splitext(os.path.basename(f))[0]
os.makedirs(this_outdir, exist_ok=True) # Make sure the output directory exists
run_colabfold(f, this_outdir, gpu)
def main():
@@ -73,7 +76,7 @@ def main():
os.makedirs(outdir, exist_ok=True)
# Get all a3m files in the input directory
input_files = glob.glob(os.path.join(args.foldername, "*.a3m"))[:4]
input_files = sorted(glob.glob(os.path.join(args.foldername, "*.a3m")))
assert input_files, f"No a3m files found in {args.foldername}"
# Split the input_files into chunks equal to the number of GPUs