Alternatives and similar repositories for docker-rdkit

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

• rdkit / django-rdkit
  ☆55Updated last month
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 7 months ago
• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆19Updated 5 years ago
• InformaticsMatters / docker-rdkit
  ☆36Updated 2 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 4 months ago
• teaguesterling / rdalchemy
  RDKit integration to SQLAlchemy
  ☆10Updated 5 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆119Updated 2 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 2 months ago
• chembl / GLaDOS
  Web Interface for ChEMBL @ EMBL-EBI
  ☆53Updated 3 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆79Updated 4 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆161Updated 2 weeks ago
• chembl / chembl_webservices_2
  Source code of the ChEMBL web services.
  ☆17Updated 6 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 9 years ago
• rdkit / RDKitjs-legacy
  Obsolete codebase, please do not use.
  ☆35Updated 3 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 4 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆69Updated 4 years ago
• ritabratamaiti / Chem-Faiss
  This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity s…
  ☆23Updated 4 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆62Updated 3 months ago
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆132Updated last year
• pckroon / pysmiles
  A lightweight python-only library for reading and writing SMILES strings
  ☆162Updated last week
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated last year
• kuelumbus / rdkit-pypi
  ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
  ☆136Updated last month
• schrodinger / gpusimilarity
  A Cuda/Thrust implementation of fingerprint similarity searching
  ☆110Updated 2 years ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆25Updated 4 years ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆20Updated 7 years ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆44Updated last week
• rvianello / docker-postgres-rdkit
  The PostgreSQL image, just extended with the RDKit cartridge
  ☆19Updated last year
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆114Updated 6 months ago