https://github.com/systemsomicslab/ms2lipid
MS2Lipid is a lipid subclass prediction program using machine learning and curated tandem mass spectral data.
https://github.com/systemsomicslab/ms2lipid
lipidomics machine-learning
Last synced: about 1 month ago
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MS2Lipid is a lipid subclass prediction program using machine learning and curated tandem mass spectral data.
- Host: GitHub
- URL: https://github.com/systemsomicslab/ms2lipid
- Owner: systemsomicslab
- License: mit
- Created: 2024-01-05T03:17:38.000Z (over 1 year ago)
- Default Branch: main
- Last Pushed: 2024-11-18T12:33:10.000Z (6 months ago)
- Last Synced: 2025-03-20T19:48:31.241Z (2 months ago)
- Topics: lipidomics, machine-learning
- Language: Jupyter Notebook
- Homepage:
- Size: 5.87 MB
- Stars: 1
- Watchers: 1
- Forks: 1
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
[](https://pypi.org/project/ms2lipid/)
[](https://doi.org/10.1101/2024.05.16.594510)
# ms2lipid
MS2Lipid is a lipid subclass prediction program using machine learning and curated tandem mass spectral data.
## Installation
`ms2lipid` PyPI package is available for Python **3.9 to 3.12**.
```bash
pip install ms2lipid
```
## Try MS2Lipid on Google Colab
[](https://colab.research.google.com/github/systemsomicslab/ms2lipid/blob/main/try_ms2lipid.ipynb)
## License
[MIT](https://choosealicense.com/licenses/mit/)
## Building `ms2lipid` Python package
Make sure you have the latest version of [PyPA’s build](https://pypi.org/project/build/) installed:
```
python -m pip install --upgrade build
# or
# python3 -m pip install --upgrade build
```
Now run this command from the same directory where `pyproject.toml` is located:
```
python -m build
# or
# python3 -m build
```