rvianello / docker-postgres-rdkitLinks
The PostgreSQL image, just extended with the RDKit cartridge
☆19Updated last year
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:
- PostgreSQL Docker image with RDKit cartridge☆19Updated 5 years ago
- An SQLite extension for chemoinformatics applications.☆61Updated last month
- ☆55Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 6 months ago
- RDKit integration to SQLAlchemy☆10Updated 5 years ago
- ☆36Updated 2 weeks ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆80Updated last month
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 3 months ago
- SMILES Depiction Generator☆61Updated last month
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆60Updated last week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆82Updated this week
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 10 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- RDKit Docker images☆20Updated 3 years ago
- Create molecular hashes☆27Updated 6 years ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆37Updated 3 weeks ago
- chemalot: a command-line cheminformatics open-source package☆38Updated 2 years ago
- Rust wrapper for the RDKit using CFFI☆16Updated 2 months ago
- ☆76Updated last year
- Tools to automatically convert and proccess cdx and cdxml files in python☆56Updated last year
- GSoC 2020 project to integrate the RDKit and MongoDb☆16Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- ☆14Updated 7 years ago
- Curate datasets with ease.☆32Updated last year
- Draw molecules with plotly!☆51Updated last week
- A validating SMILES parser, with support for incomplete SMILES☆29Updated 10 months ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year
- ☆59Updated last year
- Main InChI repository☆101Updated this week