pepboost
Awesome pepboost created by pgarrett-scripps
Install it from PyPI
pip install pepboost
Results
The results are not great when compared to deep learning approaches, but they are several times faster. There is a lot of room for improvement. No alignment is performed, and the models are not optimized.
Training RT model...
Found 0 inf sequences.
Found 0 nan sequences.
R^2: 0.9139231539453871
Retention Time: Predicted vs Experimental
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│ ▝ ▝▖▌▘▚██▙██████████████████▜▟▘ ▖▌ │ 0.5
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└────────────────────────────────────────────────────────────┘
0.2 0.4 0.6 0.8 1.0
Reading Files: 100%|██████████| 29/29 [00:08<00:00, 3.62it/s]
Training IM model...
R^2: 0.965236664924016
Ion Mobility: Predicted vs Experimental
┌────────────────────────────────────────────────────────────┐
│ ▖ ▝▝ ▖▗▝▖ ▖ ▗ ▟▄▗██▟█████▟█▌▝│
│ ▝ ▖ ▗▟ ▟▗█▄▙█▟████████▘▘ ▖ │ 1.4
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│ ▐▗▐▛███████████████▝▘ ▗ │ 1.2
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│ ▄▄▟▟██████████▛█▜▝▌▚▗ ▖ │ 1.0
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│ ▗▟█████████▛▀▀▝ │ 0.8
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│▙▟████▛▀▛▞ │
└────────────────────────────────────────────────────────────┘
0.8 1.0 1.2 1.4
Reading Files: 100%|██████████| 29/29 [00:10<00:00, 2.90it/s]
Found 0 inf sequences.
Found 0 nan sequences.
R^2: 0.8719144805523465
Intensity: Predicted vs Experimental
┌────────────────────────────────────────────────────────────┐
│ ▖▐▝▌▞█▘██▜▜▛█▛▙█▚█▙▟██████████████████████▛│ 1.0
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│ ▘▐▛███████████████████████████████████████▖ │ 0.5
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└────────────────────────────────────────────────────────────┘
-0.2 0.0 0.2 0.5 0.8
Development
Read the CONTRIBUTING.md file.
1 maintainer
Metadata
1 maintainer
Release files for pepboost 0.1.2
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Total release size: 385.1 kB
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