Comments (2)
Cool, thanks for the hint! I'll give it a try!
from chemotools.
Hello @ssuwelack
Thank you for your suggestion. Initially, my plan was to develop an IO module featuring lightweight readers for common formats. However, I haven't prioritized it just yet, as there are already some excellent open-source alternatives available. In the past, I found success using the library at this link: https://github.com/NickMacro/spc-spectra/tree/master, which can be installed using pip install spc_spectra
This library works well with a diverse range of SPC files. You can utilize it to read SPC files, extracting absorbance/intensity and wavenumbers/wavelengths arrays as numpy.ndarray
. These arrays can be used directly with chemotools
. 😊
Feel free to give it a try! If you find functionalities that could use improvement or if there's something missing, I am open to considering implementations in chemotools
. Your feedback is always welcome and valued! 🚀
from chemotools.
Related Issues (20)
- Normalize by given index HOT 1
- SelectByIndices
- Implement Weighted Least Squares HOT 1
- Enable set output API HOT 2
- Improve speed in ArPls() HOT 1
- Add docstrings
- Add data Augmentation module
- Improve `WhittakerSmooth`, `AirPLS`, and `ArPLS` performance - sparse matrix operations HOT 14
- Improve compatability with the ```set_output``` API from ```scikit-learn```
- Migrate to pyptoject.toml
- Improve feature selection integration with sklearn API
- Harmonize naming convention with other libraries for better LLM integration
- Substitute check_array by ._validate_data()
- Implement variable of importance for projections and selectioc raito HOT 7
- Deploy package to conda
- Provide Polars support when scikit-learn 1.4 is released
- Use of TensorLy for N-way data?
- ModuleNotFoundError when loading from chemotools.variable_selection import RangeCut HOT 3
- BaselineShift fails on 2d array with `dtype=int` HOT 9
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