diff --git a/docs/images/configure-help.svg b/docs/images/configure-help.svg index 4092bce3..b1fcce10 100644 --- a/docs/images/configure-help.svg +++ b/docs/images/configure-help.svg @@ -1,4 +1,4 @@ - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + - + - + - - $ casanovo configure --help -Traceback (most recent call last): -  File "/opt/hostedtoolcache/Python/3.10.14/x64/bin/casanovo", line 5, in <module> -    from casanovo.casanovo import main -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/casanovo/casanovo.py", line 32, in <module> -    import depthcharge -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/__init__.py", line 3, in <module> -    from . import components -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/__init__.py", line 2, in <module> -    from .transformers import SpectrumEncoder, PeptideDecoder -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/transformers.py", line 8, in <module> -    from .. import utils -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/utils.py", line 5, in <module> -    from tensorboard.backend.event_processing.event_accumulator import ( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_accumulator.py", line 24, in <module> -    from tensorboard.backend.event_processing import event_file_loader -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_file_loader.py", line 21, in <module> -    from tensorboard import dataclass_compat -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/dataclass_compat.py", line 33, in <module> -    from tensorboard.plugins.hparams import metadata as hparams_metadata -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/plugins/hparams/metadata.py", line 32, in <module> -    NULL_TENSOR = tensor_util.make_tensor_proto( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/util/tensor_util.py", line 405, in make_tensor_proto -    numpy_dtype = dtypes.as_dtype(nparray.dtype) -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/compat/tensorflow_stub/dtypes.py", line 677, in as_dtype -    if type_value.type == np.string_ or type_value.type == np.unicode_: -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/numpy/__init__.py", line 397, in __getattr__ -    raise AttributeError( -AttributeError: `np.string_` was removed in the NumPy 2.0 release. Use `np.bytes_` instead.. Did you mean: 'strings'? + + $ casanovo configure --help + +Usage:casanovo configure [OPTIONS]                                             + + Generate a Casanovo configuration file to customize.                            + The casanovo configuration file is in the YAML format.                          + +╭─ Options ────────────────────────────────────────────────────────────────────╮ +│--output-oFILE  The output configuration file.                           │ +│--help-h  Show this message and exit.                              │ +╰──────────────────────────────────────────────────────────────────────────────╯ + diff --git a/docs/images/evaluate-help.svg b/docs/images/evaluate-help.svg index d86b2497..2f770e2e 100644 --- a/docs/images/evaluate-help.svg +++ b/docs/images/evaluate-help.svg @@ -1,4 +1,4 @@ - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - - - - - - - - - - + + - + - + - - $ casanovo evaluate --help -Traceback (most recent call last): -  File "/opt/hostedtoolcache/Python/3.10.14/x64/bin/casanovo", line 5, in <module> -    from casanovo.casanovo import main -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/casanovo/casanovo.py", line 32, in <module> -    import depthcharge -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/__init__.py", line 3, in <module> -    from . import components -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/__init__.py", line 2, in <module> -    from .transformers import SpectrumEncoder, PeptideDecoder -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/transformers.py", line 8, in <module> -    from .. import utils -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/utils.py", line 5, in <module> -    from tensorboard.backend.event_processing.event_accumulator import ( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_accumulator.py", line 24, in <module> -    from tensorboard.backend.event_processing import event_file_loader -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_file_loader.py", line 21, in <module> -    from tensorboard import dataclass_compat -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/dataclass_compat.py", line 33, in <module> -    from tensorboard.plugins.hparams import metadata as hparams_metadata -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/plugins/hparams/metadata.py", line 32, in <module> -    NULL_TENSOR = tensor_util.make_tensor_proto( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/util/tensor_util.py", line 405, in make_tensor_proto -    numpy_dtype = dtypes.as_dtype(nparray.dtype) -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/compat/tensorflow_stub/dtypes.py", line 677, in as_dtype -    if type_value.type == np.string_ or type_value.type == np.unicode_: -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/numpy/__init__.py", line 397, in __getattr__ -    raise AttributeError( -AttributeError: `np.string_` was removed in the NumPy 2.0 release. Use `np.bytes_` instead.. Did you mean: 'strings'? + + $ casanovo evaluate --help + +Usage:casanovo evaluate [OPTIONS] ANNOTATED_PEAK_PATH...                       + + Evaluate de novo peptide sequencing performance.                                + ANNOTATED_PEAK_PATH must be one or more annoated MGF files, such as those       + provided by MassIVE-KB.                                                         + +╭─ Arguments ──────────────────────────────────────────────────────────────────╮ +│*  ANNOTATED_PEAK_PATH    FILE[required]│ +╰──────────────────────────────────────────────────────────────────────────────╯ +╭─ Options ────────────────────────────────────────────────────────────────────╮ +│--model-mFILE                        The model weights (.ckpt file). │ +│                                              If not provided, Casanovo will  │ +│                                              try to download the latest      │ +│                                              release.                        │ +│--output-oFILE                        The mzTab file to which results │ +│                                              will be written.                │ +│--config-cFILE                        The YAML configuration file     │ +│                                              overriding the default options. │ +│--verbosity-v[debug|info|warning|error]  Set the verbosity of console    │ +│                                              logging messages. Log files are │ +│                                              always set to 'debug'.          │ +│--help-h  Show this message and exit.     │ +╰──────────────────────────────────────────────────────────────────────────────╯ + diff --git a/docs/images/help.svg b/docs/images/help.svg index dfb1039c..6243538a 100644 --- a/docs/images/help.svg +++ b/docs/images/help.svg @@ -1,4 +1,4 @@ - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + + + + + + + + + + + + + + + + + + + + + + - + - + - - $ casanovo --help -Traceback (most recent call last): -  File "/opt/hostedtoolcache/Python/3.10.14/x64/bin/casanovo", line 5, in <module> -    from casanovo.casanovo import main -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/casanovo/casanovo.py", line 32, in <module> -    import depthcharge -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/__init__.py", line 3, in <module> -    from . import components -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/__init__.py", line 2, in <module> -    from .transformers import SpectrumEncoder, PeptideDecoder -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/transformers.py", line 8, in <module> -    from .. import utils -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/utils.py", line 5, in <module> -    from tensorboard.backend.event_processing.event_accumulator import ( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_accumulator.py", line 24, in <module> -    from tensorboard.backend.event_processing import event_file_loader -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_file_loader.py", line 21, in <module> -    from tensorboard import dataclass_compat -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/dataclass_compat.py", line 33, in <module> -    from tensorboard.plugins.hparams import metadata as hparams_metadata -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/plugins/hparams/metadata.py", line 32, in <module> -    NULL_TENSOR = tensor_util.make_tensor_proto( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/util/tensor_util.py", line 405, in make_tensor_proto -    numpy_dtype = dtypes.as_dtype(nparray.dtype) -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/compat/tensorflow_stub/dtypes.py", line 677, in as_dtype -    if type_value.type == np.string_ or type_value.type == np.unicode_: -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/numpy/__init__.py", line 397, in __getattr__ -    raise AttributeError( -AttributeError: `np.string_` was removed in the NumPy 2.0 release. Use `np.bytes_` instead.. Did you mean: 'strings'? + + $ casanovo --help + +Usage:casanovo [OPTIONS] COMMAND [ARGS]...                                     + + ┏━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┓  + ┃                                  Casanovo                                  ┃  + ┗━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━┛  + Casanovo de novo sequences peptides from tandem mass spectra using a            + Transformer model. Casanovo currently supports mzML, mzXML, and MGF files for   + de novo sequencing and annotated MGF files, such as those from MassIVE-KB, for  + training new models.                                                            + + Links:                                                                          + + • Documentation: https://casanovo.readthedocs.io + • Official code repository: https://github.com/Noble-Lab/casanovo + + If you use Casanovo in your work, please cite:                                  + + • Yilmaz, M., Fondrie, W. E., Bittremieux, W., Oh, S. & Noble, W. S. De novo   +mass spectrometry peptide sequencing with a transformer model. Proceedings   +of the 39th International Conference on Machine Learning - ICML '22 (2022)   +doi:10.1101/2022.02.07.479481.                                               + +╭─ Options ────────────────────────────────────────────────────────────────────╮ +│--help-h    Show this message and exit.                                    │ +╰──────────────────────────────────────────────────────────────────────────────╯ +╭─ Commands ───────────────────────────────────────────────────────────────────╮ +│configure Generate a Casanovo configuration file to customize.              │ +│db-search Perform a database search on MS/MS data using Casanovo-DB.        │ +│evaluate  Evaluate de novo peptide sequencing performance.                  │ +│sequence  De novo sequence peptides from tandem mass spectra.               │ +│train     Train a Casanovo model on your own data.                          │ +│version   Get the Casanovo version information                              │ +╰──────────────────────────────────────────────────────────────────────────────╯ + diff --git a/docs/images/sequence-help.svg b/docs/images/sequence-help.svg index b9b96d74..7a1bbff6 100644 --- a/docs/images/sequence-help.svg +++ b/docs/images/sequence-help.svg @@ -1,4 +1,4 @@ - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - - - - - - - - - - + + - + - + - - $ casanovo sequence --help -Traceback (most recent call last): -  File "/opt/hostedtoolcache/Python/3.10.14/x64/bin/casanovo", line 5, in <module> -    from casanovo.casanovo import main -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/casanovo/casanovo.py", line 32, in <module> -    import depthcharge -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/__init__.py", line 3, in <module> -    from . import components -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/__init__.py", line 2, in <module> -    from .transformers import SpectrumEncoder, PeptideDecoder -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/transformers.py", line 8, in <module> -    from .. import utils -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/utils.py", line 5, in <module> -    from tensorboard.backend.event_processing.event_accumulator import ( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_accumulator.py", line 24, in <module> -    from tensorboard.backend.event_processing import event_file_loader -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_file_loader.py", line 21, in <module> -    from tensorboard import dataclass_compat -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/dataclass_compat.py", line 33, in <module> -    from tensorboard.plugins.hparams import metadata as hparams_metadata -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/plugins/hparams/metadata.py", line 32, in <module> -    NULL_TENSOR = tensor_util.make_tensor_proto( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/util/tensor_util.py", line 405, in make_tensor_proto -    numpy_dtype = dtypes.as_dtype(nparray.dtype) -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/compat/tensorflow_stub/dtypes.py", line 677, in as_dtype -    if type_value.type == np.string_ or type_value.type == np.unicode_: -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/numpy/__init__.py", line 397, in __getattr__ -    raise AttributeError( -AttributeError: `np.string_` was removed in the NumPy 2.0 release. Use `np.bytes_` instead.. Did you mean: 'strings'? + + $ casanovo sequence --help + +Usage:casanovo sequence [OPTIONS] PEAK_PATH...                                 + + De novo sequence peptides from tandem mass spectra.                             + PEAK_PATH must be one or more mzML, mzXML, or MGF files from which to sequence  + peptides.                                                                       + +╭─ Arguments ──────────────────────────────────────────────────────────────────╮ +│*  PEAK_PATH    FILE[required]│ +╰──────────────────────────────────────────────────────────────────────────────╯ +╭─ Options ────────────────────────────────────────────────────────────────────╮ +│--model-mFILE                        The model weights (.ckpt file). │ +│                                              If not provided, Casanovo will  │ +│                                              try to download the latest      │ +│                                              release.                        │ +│--output-oFILE                        The mzTab file to which results │ +│                                              will be written.                │ +│--config-cFILE                        The YAML configuration file     │ +│                                              overriding the default options. │ +│--verbosity-v[debug|info|warning|error]  Set the verbosity of console    │ +│                                              logging messages. Log files are │ +│                                              always set to 'debug'.          │ +│--help-h  Show this message and exit.     │ +╰──────────────────────────────────────────────────────────────────────────────╯ + diff --git a/docs/images/train-help.svg b/docs/images/train-help.svg index a71b8915..58251215 100644 --- a/docs/images/train-help.svg +++ b/docs/images/train-help.svg @@ -1,4 +1,4 @@ - + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + - + - - $ casanovo train --help -Traceback (most recent call last): -  File "/opt/hostedtoolcache/Python/3.10.14/x64/bin/casanovo", line 5, in <module> -    from casanovo.casanovo import main -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/casanovo/casanovo.py", line 32, in <module> -    import depthcharge -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/__init__.py", line 3, in <module> -    from . import components -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/__init__.py", line 2, in <module> -    from .transformers import SpectrumEncoder, PeptideDecoder -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/components/transformers.py", line 8, in <module> -    from .. import utils -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/depthcharge/utils.py", line 5, in <module> -    from tensorboard.backend.event_processing.event_accumulator import ( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_accumulator.py", line 24, in <module> -    from tensorboard.backend.event_processing import event_file_loader -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/backend/event_processing/event_file_loader.py", line 21, in <module> -    from tensorboard import dataclass_compat -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/dataclass_compat.py", line 33, in <module> -    from tensorboard.plugins.hparams import metadata as hparams_metadata -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/plugins/hparams/metadata.py", line 32, in <module> -    NULL_TENSOR = tensor_util.make_tensor_proto( -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/util/tensor_util.py", line 405, in make_tensor_proto -    numpy_dtype = dtypes.as_dtype(nparray.dtype) -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/tensorboard/compat/tensorflow_stub/dtypes.py", line 677, in as_dtype -    if type_value.type == np.string_ or type_value.type == np.unicode_: -  File "/opt/hostedtoolcache/Python/3.10.14/x64/lib/python3.10/site-packages/numpy/__init__.py", line 397, in __getattr__ -    raise AttributeError( -AttributeError: `np.string_` was removed in the NumPy 2.0 release. Use `np.bytes_` instead.. Did you mean: 'strings'? + + $ casanovo train --help + +Usage:casanovo train [OPTIONS] TRAIN_PEAK_PATH...                              + + Train a Casanovo model on your own data.                                        + TRAIN_PEAK_PATH must be one or more annoated MGF files, such as those provided  + by MassIVE-KB, from which to train a new Casnovo model.                         + +╭─ Arguments ──────────────────────────────────────────────────────────────────╮ +│*  TRAIN_PEAK_PATH    FILE[required]│ +╰──────────────────────────────────────────────────────────────────────────────╯ +╭─ Options ────────────────────────────────────────────────────────────────────╮ +│*--validation_peak_pa…-pFILE                    An annotated MGF file  │ +│                                                       for validation, like   │ +│                                                       from MassIVE-KB. Use   │ +│                                                       this option multiple   │ +│                                                       times to specify       │ +│                                                       multiple files.        │ +│[required]            │ +│--model-mFILE                    The model weights      │ +│                                                       (.ckpt file). If not   │ +│                                                       provided, Casanovo     │ +│                                                       will try to download   │ +│                                                       the latest release.    │ +│--output-oFILE                    The mzTab file to      │ +│                                                       which results will be  │ +│                                                       written.               │ +│--config-cFILE                    The YAML configuration │ +│                                                       file overriding the    │ +│                                                       default options.       │ +│--verbosity-v[debug|info|warning|er  Set the verbosity of   │ +│ror]  console logging        │ +│                                                       messages. Log files    │ +│                                                       are always set to      │ +│                                                       'debug'.               │ +│--help-h  Show this message and  │ +│                                                       exit.                  │ +╰──────────────────────────────────────────────────────────────────────────────╯ +