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 last month
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆137Updated 2 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆19Updated 5 years ago
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆18Updated 4 years ago
• mik-laj / streamlit-ketcher
  ☆55Updated 11 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 2 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆76Updated 2 weeks ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆76Updated last week
• rdkit / django-rdkit
  ☆55Updated last year
• gorgitko / molminer
  Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
  ☆47Updated 5 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆49Updated 4 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆44Updated 4 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆90Updated 3 months ago
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆103Updated 2 weeks ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆77Updated last week
• nextmovesoftware / smilesreading
  SMILES reading benchmark
  ☆16Updated 6 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆47Updated last week
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆38Updated 2 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆102Updated 2 months ago
• rdkit / UGM_2022
  Materials from the 2022 UGM
  ☆44Updated 2 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated last year