mcs07 / docker-postgres-rdkitLinks
PostgreSQL Docker image with RDKit cartridge
☆18Updated 5 years ago
Alternatives and similar repositories for docker-postgres-rdkit
Users that are interested in docker-postgres-rdkit are comparing it to the libraries listed below
Sorting:
- The PostgreSQL image, just extended with the RDKit cartridge☆18Updated 10 months ago
- Lightweight RDKit images for production deployment☆34Updated last week
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated this week
- ☆55Updated last year
- RDKit Docker images☆19Updated 2 years ago
- Rust wrapper for the RDKit using CFFI☆16Updated 2 weeks ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 years ago
- A validating SMILES parser, with support for incomplete SMILES☆26Updated 4 months ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- An SQLite extension for chemoinformatics applications.☆58Updated 3 months ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- ☆14Updated 7 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆16Updated 3 years ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆20Updated 3 years ago
- Fast Molecular Property Prediction with mordredcommunity☆43Updated last week
- ☆31Updated last month
- ☆16Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated 2 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 4 months ago
- ☆25Updated 3 years ago
- Cloud-based Drug Binding Structure Prediction☆37Updated 2 months ago
- Create molecular hashes☆27Updated 5 years ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- rdkit scripts making life easier☆69Updated last month
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated 2 weeks ago