9 results found Sort:

olivertomic
hoggorm olivertomic
26
80
bsd-2-clause
7
Explorative multivariate statistics in Python
statistics chemometrics multivariate-analysis explorative-statistics multivariate-statistics principal-component-analysis partial-least-squares-regression
Created 2016-06-12
267 commits to master branch, last one 2 years ago
chemplexity
chromatography chemplexity
18
67
mit
8
functions for chromatography and mass spectrometry data analysis
matlab chemistry chemometrics chromatography
Created 2014-08-28
113 commits to master branch, last one 6 years ago
cthoyt
chembl-downloader cthoyt
11
65
mit
4
Write reproducible code for getting and processing ChEMBL
chembl python toxicology chemometrics pharmacology chemogenomics bioinformatics cheminformatics machine-learning proteochemometrics reproducible-research
Created 2021-07-27
113 commits to main branch, last one 5 months ago
caseykneale
ChemometricsTools.jl caseykneale
12
64
other
6
A collection of tools for chemometrics and machine learning written in Julia.
julia sampling regression chemometrics classification curve-resolution machine-learning
Created 2019-02-06
331 commits to master branch, last one 2 years ago
barahona-research-group
RamanSPy barahona-research-group
11
59
bsd-3-clause
4
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
python chemometrics data-analysis raman-spectroscopy analytical-chemistry artificial-intelligence
Created 2023-06-26
93 commits to main branch, last one 28 days ago
BiRG
pyopls BiRG
16
56
mit
4
A Python 3 implementation of orthogonal projection to latent structures
chemometrics metabolomics feature-selection orthogonal-signal-correction partial-least-squares-regression
Created 2019-06-13
83 commits to master branch, last one 4 years ago
ALebrun-108
BoxSERS ALebrun-108
15
52
mit
3
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
sers python cnn-keras chemometrics pca-analysis deep-learning preprocessing machine-learning data-augmentation raman-spectroscopy baseline-correction unsupervised-learning vibrational-spectroscopy
Created 2020-06-17
345 commits to master branch, last one 29 days ago
paucablop
chemotools paucablop
5
40
mit
3
Integrate your chemometric tools with the scikit-learn API 🧪 🤖
python sklearn spectra autoencoders chemometrics scikit-learn spectroscopy deep-learning hacktoberfest ir-spectroscopy machine-learning nir-spectroscopy raman-spectroscopy multivariate-analysis artificial-intelligence
Created 2023-01-26
442 commits to main branch, last one 3 months ago
HaasCP
mocca HaasCP
11
36
mit
8
Open-source Python project to analyze HPLC–DAD raw data.
hplc hplc-dad open-data open-source chemometrics open-science chromatography python-package cheminformatics
Created 2021-11-18
195 commits to master branch, last one about a year ago