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.
  ☆46Updated 7 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆160Updated 4 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆19Updated 5 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 4 months ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆119Updated 2 years ago
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆19Updated 5 years ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆71Updated 7 months ago
• mik-laj / streamlit-ketcher
  ☆59Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆84Updated last month
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆81Updated last week
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆53Updated 4 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆91Updated 4 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆61Updated 2 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆91Updated 4 months ago
• rdkit / UGM_2022
  Materials from the 2022 UGM
  ☆46Updated 3 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆45Updated last year
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆95Updated 2 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆92Updated this week
• rdkit / django-rdkit
  ☆55Updated 3 weeks ago
• gorgitko / molminer
  Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
  ☆47Updated 5 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆129Updated 4 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 3 months ago
• hainm / molstarview
  This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview
  ☆12Updated last year
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆142Updated last week
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆130Updated last year