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.
  ☆44Updated 2 weeks ago
• rdkit / django-rdkit
  ☆55Updated 9 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆122Updated 3 weeks ago
• InformaticsMatters / docker-rdkit
  Lightweight RDKit images for production deployment
  ☆33Updated 3 months ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 4 years ago
• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆18Updated 4 years ago
• czodrowskilab / VSFlow
  ☆86Updated last year
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆37Updated last year
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆94Updated this week
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆111Updated last year
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 8 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆56Updated 9 months ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆48Updated this week
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• teaguesterling / rdalchemy
  RDKit integration to SQLAlchemy
  ☆10Updated 4 years ago
• iwatobipen / chemo_info
  ☆32Updated 4 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 5 months ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆113Updated last year
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆70Updated 3 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆61Updated 8 months ago
• rdkit / UGM_2022
  Materials from the 2022 UGM
  ☆44Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• molecularinformatics / roshambo
  ☆71Updated 5 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆87Updated last year
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆44Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year