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 11 months ago
• maruedt / chemometrics
  Python library for chemometric data analysis
  ☆33Updated 2 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆84Updated last week
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated 3 weeks ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆20Updated 2 months ago
• AlBi-HHU / myopic-mces
  ☆17Updated 3 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆81Updated this week
• dylanwal / chemistry_drawer
  Draw molecules with plotly!
  ☆48Updated 4 months ago
• Ohio-State-Allen-Lab / FTIRMachineLearning
  ☆37Updated 3 years ago
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆28Updated 6 months ago
• MolSSI-Education / python-package-best-practices
  Hands-on workshop showing good software development practices to create a Python package.
  ☆42Updated 2 weeks ago
• Bayer-Group / MOCCA
  ☆27Updated 2 months ago
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆37Updated 10 months ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 5 months ago
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆15Updated last year
• lukasturcani / atomlite
  Store your chemical data in a single file!
  ☆12Updated 3 months ago
• Laboratoire-de-Chemoinformatique / SynPlanner
  Computer-aided synthesis planning
  ☆29Updated 2 months ago
• iwatobipen / chem_streamlit
  ☆25Updated 3 years ago
• mqcomplab / MultipleComparisons
  ☆34Updated 3 years ago
• novonordisk-research / ProcessOptimizer
  A tool to optimize real world problems
  ☆104Updated this week
• emmaking-smith / HiTEA
  The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experi…
  ☆12Updated last year
• lithium0003 / JSME_ipywidget
  JSME Molecule Editor ipywidget for jupyter notebook
  ☆12Updated last month
• rinikerlab / GHOST
  ☆49Updated 3 years ago
• PodewitzLab / PyConSolv
  ☆24Updated last month
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆35Updated this week
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 5 months ago
• syngenta / linchemin
  Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …
  ☆41Updated 2 months ago
• czodrowskilab / 5minfame
  ☆37Updated last year
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆36Updated 4 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆70Updated 4 months ago