Alternatives and similar repositories for openchemlib

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

• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated last year
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆133Updated last month
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆135Updated last week
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆89Updated 2 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆159Updated 3 months ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆78Updated 3 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆91Updated last week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆165Updated 11 months ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆113Updated 5 months ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆75Updated last month
• IUPAC-InChI / InChI
  Main InChI repository
  ☆101Updated this week
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆106Updated this week
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆145Updated this week
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆202Updated 10 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆124Updated 3 months ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆80Updated last month
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 3 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆61Updated 3 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆128Updated 3 months ago
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆123Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆82Updated this week
• dkoes / rdkit-scripts
  A collection of cheminformatics scripts that use rdkit
  ☆70Updated 3 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆67Updated last month
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆118Updated 2 years ago
• mik-laj / streamlit-ketcher
  ☆59Updated last year
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆176Updated 5 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆95Updated last month
• dan2097 / opsin
  Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
  ☆190Updated 3 weeks ago
• duerrsimon / substrate-scope-plot
  ☆55Updated 6 months ago