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 this week
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆43Updated 4 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• 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
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆131Updated last month
• yanfeiguan / chemprop-atom-bond
  Message Passing Neural Networks for Atomic/Bond Property Prediction
  ☆17Updated 4 years ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• ComPlat / chem_scanner
  Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files
  ☆20Updated 3 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆72Updated 2 weeks 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.
  ☆74Updated last month
• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆18Updated 5 years ago
• iwatobipen / chemo_info
  ☆31Updated last month
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆23Updated 3 years ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆48Updated 4 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆87Updated 2 months ago
• mcs07 / docker-rdkit
  RDKit Docker images
  ☆19Updated 2 years ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆70Updated this week
• knu-lcbc / MolForge
  ☆24Updated 2 years ago
• connorcoley / scscore
  ☆97Updated 4 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆40Updated 8 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆26Updated 4 months ago
• eloyfelix / blog_notebooks
  blogpost notebooks
  ☆20Updated 4 years ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆57Updated 2 weeks ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• cimm-kzn / 3D-MIL-QSAR
  Ligand bioactivity prediction
  ☆58Updated 10 months ago
• mik-laj / streamlit-ketcher
  ☆52Updated 10 months ago