Alternatives and similar repositories for chemotools

Users that are interested in chemotools are comparing it to the libraries listed below

• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆42Updated 9 months ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆83Updated 2 weeks ago
• maruedt / chemometrics
  Python library for chemometric data analysis
  ☆32Updated 2 years ago
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆143Updated this week
• Bayer-Group / MOCCA
  ☆24Updated 3 weeks ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆26Updated last week
• dylanwal / chemistry_drawer
  Draw molecules with plotly!
  ☆47Updated 2 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆19Updated last week
• materials-data-facility / awesome-bayesian-optimization
  ☆40Updated last year
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated 4 months ago
• cremerlab / hplc-py
  A Python utility for the processing and quantification of chromatography data
  ☆46Updated 8 months ago
• novonordisk-research / ProcessOptimizer
  A tool to optimize real world problems
  ☆99Updated last month
• emmaking-smith / HiTEA
  The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…
  ☆12Updated last year
• NREL / m2p
  ☆29Updated 10 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆70Updated this week
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆27Updated 4 months ago
• cgohlke / molmass
  Molecular mass calculations.
  ☆63Updated last month
• AlBi-HHU / myopic-mces
  ☆16Updated last month
• MSDLLCpapers / obsidian
  Algorithmic process optimization and AI experiment design
  ☆31Updated last month
• MicroPhen / pyFOOMB
  Framework for Object Oriented Modelling of Bioprocesses
  ☆17Updated 4 years ago
• rxn4chemistry / nmr-to-structure
  Prediction molecular structure from NMR spectra
  ☆30Updated last year
• sustainable-processes / summit
  Optimising chemical reactions using machine learning
  ☆129Updated 9 months ago
• novonordisk-research / OptiHPLCHandler
  Simplified Python SDK for interacting with the Waters Empower Web API
  ☆16Updated last week
• pstjohn / bde
  utilities for calculating bond dissociation energies
  ☆35Updated 2 years ago
• cambiegroup / flowchem
  Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.
  ☆16Updated this week
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆54Updated last week
• sametz / nmrsim
  A Python library for NMR simulation
  ☆24Updated last year
• Gscorreia89 / pyChemometrics
  pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets
  ☆40Updated 2 months ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆191Updated this week
• leonardo-chiappisi / pyDSC
  Set of python scripts for the correction of DSC data.
  ☆22Updated 6 months ago