mcs07 / docker-postgres-rdkitLinks
PostgreSQL Docker image with RDKit cartridge
☆19Updated 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:
- ☆55Updated last year
- Lightweight RDKit images for production deployment☆36Updated 4 months ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 5 months ago
- RDKit Docker images☆20Updated 3 years ago
- An SQLite extension for chemoinformatics applications.☆60Updated last month
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 months ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆127Updated last year
- RDKit integration to SQLAlchemy☆10Updated 5 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Updated 10 months ago
- ☆14Updated 7 years ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆36Updated last month
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- ☆26Updated 4 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- Compare molecular structures after energy minimization in various force fields.☆10Updated 5 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 2 weeks ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- ☆31Updated 7 months ago
- ☆58Updated last year
- lwreg is a lightweight registration system for chemical registration and data storage.☆79Updated last week
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆21Updated 4 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Updated 11 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 9 months ago
- docking visualization with py3dmol and streamlit☆24Updated 4 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆42Updated last year