Alternatives and similar repositories for depict

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

• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆79Updated 4 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 8 months ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆81Updated last week
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆114Updated 7 months ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆148Updated last week
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆74Updated 2 months ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆97Updated 3 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆130Updated 5 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆67Updated 4 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆93Updated 2 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆87Updated 2 months ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆161Updated this week
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆63Updated 2 weeks ago
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆41Updated 2 years ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆67Updated 2 years ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆62Updated 9 months ago
• czodrowskilab / VSFlow
  ☆101Updated 11 months ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆111Updated 9 months ago
• PatWalters / chem_tutorial
  ☆90Updated 4 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆46Updated 2 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆62Updated 3 months ago
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆38Updated 2 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆118Updated last year
• rsc-ontology / rxno
  Name Reaction Ontology
  ☆45Updated 2 weeks ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago