rdkit / django-rdkitLinks
☆55Updated last month
Alternatives and similar repositories for django-rdkit
Users that are interested in django-rdkit are comparing it to the libraries listed below
Sorting:
- An SQLite extension for chemoinformatics applications.☆62Updated 3 months ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 8 months ago
- PostgreSQL Docker image with RDKit cartridge☆19Updated 5 years ago
- RDKit integration to SQLAlchemy☆10Updated 5 years ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆40Updated 4 months ago
- ☆36Updated 2 months ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆132Updated last year
- RDKit Docker images☆20Updated 3 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆19Updated last year
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- Materials from the 2016 RDKit UGM☆41Updated 9 years ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Obsolete codebase, please do not use.☆35Updated 3 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Updated 4 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database☆83Updated 5 years 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
- lwreg is a lightweight registration system for chemical registration and data storage.☆81Updated last week
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Simple package for fast molecular similarity searches☆161Updated this week
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- A Python library for structural cheminformatics☆103Updated 2 months ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆114Updated 7 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆97Updated 3 months ago
- Chemical Structure Handling for Pandas DataFrames☆34Updated 3 years ago
- An open set of tools for automating tasks relating to small molecules☆69Updated 4 years ago
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆136Updated last week
- A validating SMILES parser, with support for incomplete SMILES☆29Updated last year
- Molecular standardisation tool☆77Updated 5 years ago
- Create molecular hashes☆27Updated 6 years ago