Alternatives and similar repositories for docker-rdkit

Users that are interested in docker-rdkit are comparing it to the libraries listed below

• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆45Updated 2 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆141Updated 3 months ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 2 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆18Updated 4 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆76Updated last month
• gorgitko / molminer
  Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
  ☆47Updated 5 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated last year
• chembl / chembl_beaker
  RDKit wrapper
  ☆49Updated last year
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆87Updated 3 years ago
• rdkit / django-rdkit
  ☆55Updated last year
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆77Updated 3 years ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆78Updated last week
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆143Updated this week
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆127Updated last year
• whitead / molbloom
  Molecular bloom filter tool
  ☆121Updated 3 months ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆59Updated 5 months ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆90Updated 4 months ago
• mik-laj / streamlit-ketcher
  ☆56Updated last year
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆81Updated last week
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆222Updated 4 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆110Updated 11 months ago
• reymond-group / mhfp
  Molecular MHFP fingerprints for cheminformatics applications
  ☆89Updated 2 years ago