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# MS2Query 2.0
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more to come...
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## Basic workflow (so far):
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### Library generation
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```python
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from ms2query.create_new_library import create_new_library
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ms2query_lib = create_new_library(
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spectra_files=["spectra.mgf"],
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annotation_files=[],
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output_folder="my_ms2query_folder/",
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model_path="models/ms2deepscore.pt"
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)
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```
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### Loading already generated library
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```python
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from ms2query.create_new_library import load_created_library
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lib = load_created_library("my_ms2query_folder/")
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```
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A first basic implementation is out now, more to follow soon...
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The new MS2Query appraoch has a higher accuracy and has a much simpler and faster underlying algorithm. We will hopefully soon share a first preprint as well, showing all the benchmarking.
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The current runably version still requires to create the library files, which takes some time for the first run.
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Soon this will be much easier and faster. We will add downloadable precomputed files, make MS2Query pip installable, add a database and allow faster MS2DeepScore searching.
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The tutorial for the current prototype can be found in notebooks/tutorial.
This is for creating the database. This is not yet fully functional, so for now please use the notebooks/tutorial.ipynb if you already want to try out the prototype.
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### Library generation
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```python
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from ms2query.create_new_library import create_new_library
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ms2query_lib = create_new_library(
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spectra_files=["spectra.mgf"],
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annotation_files=[],
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output_folder="my_ms2query_folder/",
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model_path="models/ms2deepscore.pt"
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)
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```
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### Loading already generated library
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```python
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from ms2query.create_new_library import load_created_library
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