Alternatives and similar repositories for docker-postgres-rdkit

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

• mcs07 / docker-postgres-rdkit
  PostgreSQL Docker image with RDKit cartridge
  ☆19Updated 5 years ago
• rdkit / django-rdkit
  ☆55Updated last year
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆59Updated 5 months ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆45Updated 2 months ago
• InformaticsMatters / docker-rdkit
  Lightweight RDKit images for production deployment
  ☆35Updated last month
• teaguesterling / rdalchemy
  RDKit integration to SQLAlchemy
  ☆10Updated 4 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆76Updated last month
• pragmatic-streamlit / streamlit-molstar
  ☆73Updated last year
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 2 years ago
• aclarkxyz / web_molkit
  Web Molecular Toolkit: cheminformatics functionality in TypeScript
  ☆38Updated last week
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 6 months ago
• forlilab / molscrub
  Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock
  ☆32Updated last month
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• mcs07 / docker-rdkit
  RDKit Docker images
  ☆20Updated 3 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 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
• cdk / depict
  SMILES Depiction Generator
  ☆57Updated last month
• polaris-hub / auroris
  Curate datasets with ease.
  ☆30Updated 10 months ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 9 months ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• dkoes / rdkit-scripts
  A collection of cheminformatics scripts that use rdkit
  ☆66Updated 3 years ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆44Updated 2 months ago
• rdkit / UGM_2022
  Materials from the 2022 UGM
  ☆44Updated 2 years ago
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆18Updated 4 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆84Updated last week
• 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
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆61Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated 2 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆141Updated 3 months ago