No such file or directory `/nnap/data/Atomic.csv`

[menoliu]

I have installed this tool on a custom conda environment running Python 3.8.20. When I try to run aggreprot-predictor predict-sequential-batch --out-dir test test.fasta I am met with the following error. There seems to be missing a CSV file.

I tried installing using the README.md instructions at first and was met with this error so I pip install -e . directly from this repository cloned locally but I am seeing the same error. Any help would be appreciated. Thanks!

Traceback (most recent call last):
  File "/home/*/miniconda3/envs/py38/bin/aggreprot-predictor", line 33, in <module>
    sys.exit(load_entry_point('aggreprot-predictor', 'console_scripts', 'aggreprot-predictor')())
  File "/home/*/Programs/aggreprot-predictor/nnap/cli.py", line 321, in main
    cli()
  File "/home/*/miniconda3/envs/py38/lib/python3.8/site-packages/click/core.py", line 1130, in __call__
    return self.main(*args, **kwargs)
  File "/home/*/miniconda3/envs/py38/lib/python3.8/site-packages/click/core.py", line 1055, in main
    rv = self.invoke(ctx)
  File "/home/*/miniconda3/envs/py38/lib/python3.8/site-packages/click/core.py", line 1657, in invoke
    return _process_result(sub_ctx.command.invoke(sub_ctx))
  File "/home/*/miniconda3/envs/py38/lib/python3.8/site-packages/click/core.py", line 1404, in invoke
    return ctx.invoke(self.callback, **ctx.params)
  File "/home/*/miniconda3/envs/py38/lib/python3.8/site-packages/click/core.py", line 760, in invoke
    return __callback(*args, **kwargs)
  File "/home/*/Programs/aggreprot-predictor/nnap/cli.py", line 151, in predict_sequential_batch_cmd
    pred.predict(fasta_file, out_dir, delimiter=delimiter, want_metrics=False)
  File "/home/*/Programs/aggreprot-predictor/nnap/commands.py", line 190, in predict
    data = parse_data(pd.DataFrame({"hexapeptides": hexapeptides, "label": None, "fold_id": None}), self.static_file, self.seq_file, want_labelize=want_metrics)
  File "/home/*/Programs/aggreprot-predictor/nnap/data.py", line 127, in parse_data
    seq_features = parse_seq_file(seq_file) if seq_file else None
  File "/home/*/Programs/aggreprot-predictor/nnap/data.py", line 88, in parse_seq_file
    with open(file, "r", encoding="utf-8-sig") as f:
FileNotFoundError: [Errno 2] No such file or directory: '/home/*/Programs/aggreprot-predictor/nnap/data/Atomic.csv'