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
  ☆18Updated 4 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆44Updated last month
• teaguesterling / rdalchemy
  RDKit integration to SQLAlchemy
  ☆10Updated 4 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆57Updated 3 weeks ago
• rdkit / django-rdkit
  ☆55Updated 11 months ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆26Updated 2 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆39Updated 2 years ago
• InformaticsMatters / docker-rdkit
  Lightweight RDKit images for production deployment
  ☆34Updated 4 months ago
• mcs07 / docker-rdkit
  RDKit Docker images
  ☆19Updated 2 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆38Updated 11 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆18Updated 5 months ago
• rinikerlab / lightweight-registration
  ☆70Updated last week
• aclarkxyz / web_molkit
  Web Molecular Toolkit: cheminformatics functionality in TypeScript
  ☆35Updated 2 weeks ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 3 months 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
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆48Updated last week
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated this week
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated 2 months ago
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆32Updated last month
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• kienerj / molecule-slide-generator
  Generate images of molecules and their properties for use in presentations and reports
  ☆44Updated 2 years ago
• healx / lig3dlens
  ☆51Updated last month
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆38Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated last year
• GilsonLabUCSD / pAPRika
  Advanced toolkit for binding free energy calculations
  ☆32Updated 2 months ago
• MobleyLab / SolvationToolkit
  In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes
  ☆32Updated 4 years ago
• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 3 years ago