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 2 months ago
• teaguesterling / rdalchemy
  RDKit integration to SQLAlchemy
  ☆10Updated 4 years ago
• rdkit / django-rdkit
  ☆55Updated 11 months ago
• rvianello / razi
  A cheminformatics extension for the SQLAlchemy database toolkit.
  ☆40Updated 2 years ago
• rvianello / chemicalite
  An SQLite extension for chemoinformatics applications.
  ☆57Updated last month
• InformaticsMatters / docker-rdkit
  Lightweight RDKit images for production deployment
  ☆34Updated 5 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆26Updated 3 months ago
• baoilleach / smizip
  An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings
  ☆11Updated 2 months ago
• rdkit / mongo-rdkit
  GSoC 2020 project to integrate the RDKit and MongoDb
  ☆16Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• czodrowskilab / x-fp
  ☆16Updated last year
• TUCAN-nest / TUCAN
  A molecular identifier and descriptor for all domains of chemistry.
  ☆24Updated 4 months ago
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆46Updated 2 years ago
• aclarkxyz / web_molkit
  Web Molecular Toolkit: cheminformatics functionality in TypeScript
  ☆35Updated last month
• rinikerlab / lightweight-registration
  ☆71Updated 2 weeks ago
• openforcefield / openff-qcsubmit
  Automated tools for submitting molecules to QCFractal
  ☆27Updated last week
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆25Updated 4 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
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• chemalot / chemalot
  chemalot: a command-line cheminformatics open-source package
  ☆37Updated last year
• lilyminium / psiresp
  RESP with inter- and intra-molecular constraints in Psi4.
  ☆31Updated last year
• chrissly31415 / rdkitcffi
  Rust wrapper for the RDKit using CFFI
  ☆16Updated 3 months ago
• nextmovesoftware / smilesreading
  SMILES reading benchmark
  ☆16Updated 6 years ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆37Updated 2 weeks ago
• ComPlat / chem_scanner
  Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files
  ☆19Updated 3 years ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated 9 months ago