Alternatives and similar repositories for InChI

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

• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆79Updated 3 weeks ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated last year
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆90Updated last month
• jvalegre / aqme
  Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…
  ☆114Updated 2 weeks ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆82Updated 4 months ago
• whitead / molcloud
  Make a bunch of molecules
  ☆97Updated last year
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• SEDenmarkLab / molli
  Molecular Library Toolbox
  ☆62Updated 2 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆74Updated this week
• cdk / depict
  SMILES Depiction Generator
  ☆60Updated 2 weeks ago
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆39Updated last year
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆103Updated this week
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 2 months ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆165Updated 10 months ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆89Updated 2 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 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…
  ☆112Updated 4 months ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆145Updated this week
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆60Updated this week
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆131Updated last week
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆62Updated 6 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆69Updated 10 months ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆104Updated 6 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆131Updated 2 weeks ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆126Updated 3 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated 10 months ago
• pdynamo / pDynamo3
  The pDynamo molecular modeling and simulation program
  ☆42Updated 5 months ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆204Updated last week