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27 search results found
Chembl Downloader
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55
Write reproducible code for getting and processing ChEMBL
Chemometricstools.jl
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51
A collection of tools for chemometrics and machine learning written in Julia.
Hoggorm
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49
Explorative multivariate statistics in Python
Boxsers
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40
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
Chromatography
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37
functions for chromatography and mass spectrometry data analysis
Prospectr
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29
R package: Misc. Functions for Processing and Sample Selection of Spectroscopic Data
Adaptive Filters
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28
My collection of implementations of adaptive filters.
Chemotools
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24
Integrate your chemometric tools with the scikit-learn API 🧪 🤖
Mocca
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19
Open-source Python project to analyze HPLC–DAD raw data.
Chemometrics
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19
Python library for chemometric data analysis
Resemble
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17
resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data
Projection Pursuit
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16
Code for performing various projection pursuit routines
Pypls
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15
Implementation of PLS-DA and OPLS-DA for high dimensional data, like MS in metabolomics.
Enpls
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15
Algorithmic framework for measuring feature importance, outlier detection, model applicability evaluation, and ensemble predictive modeling with (sparse) partial least squares regressions.
Di Pls
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13
Python implementation of domain-invariant partial least squares regression (di-PLS)
Rchemo
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13
Archived repo (see Readme) - R package for regression and discrimination, with special focus on chemometrics and high-dimensional data.
Pychemometrics
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13
pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets
Jchemo.jl
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12
Tools for machine learning with focus on chemometrics and high-dimensional data (e.g. Partial least squares regression/discrimination)
Chemometrics
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11
Binder repo for chemometrics exercises
Rnirs
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10
Archived repo - This R Package is not developed anymore (only maintenance). It was replaced by R package rchemo
Mbpls
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10
(Multiblock) Partial Least Squares Regression for Python
Rgcxgc
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7
An R package for preprocessing and Multivariate Analysis of Two-dimensional Gas Chromatography Data
Pymass
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7
Package for analyzing MS with Python
Pyopls
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6
A Python 3 implementation of orthogonal projection to latent structures
Chemsy
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6
A Minimalistic Automatic Framework for Chemometrics and Machine Learning
Blog Post About Pca
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5
このページでは、主成分分析について詳しく説明し、MATLABコードによる実装を通した理解の確かめや、
Ohpl
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5
Ordered Homogeneity Pursuit Lasso for Group Variable Selection
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1-27 of 27 search results
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