rdkit / django-rdkitLinks
☆55Updated last year
Alternatives and similar repositories for django-rdkit
Users that are interested in django-rdkit are comparing it to the libraries listed below
Sorting:
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 5 months ago
- RDKit integration to SQLAlchemy☆10Updated 5 years ago
- PostgreSQL Docker image with RDKit cartridge☆19Updated 5 years ago
- An SQLite extension for chemoinformatics applications.☆60Updated last month
- RDKit Docker images☆20Updated 3 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 2 months ago
- Lightweight RDKit images for production deployment☆36Updated 4 months ago
- Materials from the 2016 RDKit UGM☆41Updated 8 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆78Updated 3 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Updated last year
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆127Updated last year
- Obsolete codebase, please do not use.☆34Updated 2 years ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆79Updated last week
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆136Updated 2 weeks ago
- A Python library for structural cheminformatics☆103Updated 6 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- chemalot: a command-line cheminformatics open-source package☆38Updated 2 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database☆83Updated 5 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆66Updated 4 years ago
- Simple package for fast molecular similarity searches☆156Updated 2 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆95Updated 3 weeks ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆111Updated 4 months ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Web Interface for ChEMBL @ EMBL-EBI☆53Updated 3 years ago
- Molecular standardisation tool☆77Updated 5 years ago
- An open set of tools for automating tasks relating to small molecules☆68Updated 4 years ago