paucablop/chemotools

Issues

• 🧰 Add initial `Makefile` version and tiny test CI pipeline

  #130 opened 3 months ago by MothNik
  0

• Add `pybaseline` support

  #128 opened 5 months ago by MothNik
  0

• Enable automated window size determination of Savitzky-Golay and Mean filter (maybe also Median filter)

  #125 opened 6 months ago by MothNik
  1

• Implement maximum entropy deconvolution

  #123 opened 6 months ago by MothNik
  0

• Deploy package to conda

  #61 opened a year ago by paucablop
  0

• Provide Polars support when scikit-learn 1.4 is released

  #63 opened 9 months ago by paucablop
  0

• Implement successor of Savitzky-Golay: The Modified Sinc Smoother

  #121 opened 6 months ago by MothNik
  1

• Improve `WhittakerSmooth`, `AirPLS`, and `ArPLS` performance - sparse matrix operations

  #44 opened a year ago by paucablop
  14

• BaselineShift fails on 2d array with `dtype=int`

  #87 opened 9 months ago by acmoudleysa
  9

• ModuleNotFoundError when loading from chemotools.variable_selection import RangeCut

  #78 opened 9 months ago by jguenther504
  3

• SPC file format reader

  #70 opened 10 months ago by ssuwelack
  2

• Implement variable of importance for projections and selectioc raito

  #58 opened a year ago by paucablop
  7

• Add data Augmentation module

  #40 opened a year ago by paucablop
  0

• Use of TensorLy for N-way data?

  #64 opened a year ago by mdarmstr
  0

• Improve compatability with the ```set_output``` API from ```scikit-learn```

  #46 opened a year ago by paucablop
  0

• Substitute check_array by ._validate_data()

  #57 opened a year ago by paucablop
  0

• Improve feature selection integration with sklearn API

  #55 opened a year ago by paucablop
  0

• Harmonize naming convention with other libraries for better LLM integration

  #56 opened a year ago by paucablop
  0

• Migrate to pyptoject.toml

  #53 opened a year ago by paucablop
  0

• Norris Williams

  #4 opened a year ago by paucablop
  0

• Splines baseline correction

  #17 opened a year ago by paucablop
  0

• Factor sklearn cheks out of each function

  #22 opened a year ago by paucablop
  0

• Add logger to the different functions

  #23 opened a year ago by paucablop
  1

• SelectByIndices

  #32 opened a year ago by paucablop
  0

• Add robust normal variate

  #24 opened a year ago by paucablop
  2

• Extended Multiplicative Scatter Correction

  #5 opened a year ago by paucablop
  1

• Implement Weighted Least Squares

  #33 opened a year ago by paucablop
  1

• Add docstrings

  #37 opened a year ago by paucablop
  0

• Improve speed in ArPls()

  #36 opened 2 years ago by paucablop
  1

• Enable set output API

  #34 opened 2 years ago by paucablop
  2

• Range Cut by Wavenumbers

  #12 opened 2 years ago by paucablop
  0

• Range Cut

  #6 opened 2 years ago by paucablop
  0

• Improve perfomance ow whittaker

  #20 opened 2 years ago by paucablop
  0

• Normalize by given index

  #26 opened 2 years ago by paucablop
  1

• Use plotly for html plots in documentation 😎

  #25 opened 2 years ago by paucablop
  0

• Savitzky Golay Filter

  #7 opened 2 years ago by paucablop
  0

• Add subtraction of reference spectrum

  #19 opened 2 years ago by paucablop
  0

• Remove tuple in input of baseline correction instances

  #18 opened 2 years ago by paucablop
  0

• Linear correction

  #16 opened 2 years ago by paucablop
  0

• Median filter

  #11 opened 2 years ago by paucablop
  0

• Mean filter

  #10 opened 2 years ago by paucablop
  0

• Non Negative

  #13 opened 2 years ago by paucablop
  0

• L-Normalize

  #15 opened 2 years ago by paucablop
  0

• Normalize by min/max

  #14 opened 2 years ago by paucablop
  0

• Adaptive Iterative Reweighted Penalized Least Squares

  #8 opened 2 years ago by paucablop
  0

• Standard Normal Variate

  #2 opened 2 years ago by paucablop
  0

• Multiplicative Scatter Correction

  #1 opened 2 years ago by paucablop
  0

• Whitakker smoothing

  #9 opened 2 years ago by paucablop
  0

• Savitzky Golay

  #3 opened 2 years ago by paucablop
  0