Alternatives and similar repositories for openchemlib:

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

• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆110Updated last week
• rinikerlab / lightweight-registration
  ☆69Updated last week
• IUPAC-InChI / InChI
  Main InChI repository
  ☆78Updated last week
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆170Updated 4 years ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆183Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 3 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆59Updated 3 weeks ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆75Updated 3 years ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 5 months ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆85Updated this week
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆81Updated last month
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 3 years ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆72Updated last year
• whitead / molbloom
  Molecular bloom filter tool
  ☆116Updated last week
• duerrsimon / substrate-scope-plot
  ☆53Updated 5 years ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated 2 years ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆139Updated 3 months ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆185Updated 2 months ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆146Updated 2 months ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated this week
• josejimenezluna / delfta
  Δ-QML for medicinal chemistry
  ☆98Updated last year
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆122Updated last week
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆212Updated last week
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆115Updated 5 months ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆99Updated 2 years ago
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆38Updated last year