rdkit / django-rdkit
☆55Updated 6 months ago
Related projects ⓘ
Alternatives and complementary repositories for django-rdkit
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 years ago
- PostgreSQL Docker image with RDKit cartridge☆17Updated 4 years ago
- Materials from the 2016 RDKit UGM☆39Updated 7 years ago
- RDKit integration to SQLAlchemy☆10Updated 4 years ago
- Molecule Validation and Standardization☆159Updated 4 years ago
- ☆64Updated 3 weeks ago
- RDKit Docker images☆18Updated 2 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆107Updated last year
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 4 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆15Updated 4 months ago
- A Python library for structural cheminformatics☆93Updated 8 months ago
- rdkit scripts making life easier☆60Updated 3 weeks ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆84Updated last month
- Simple package for fast molecular similarity searches☆113Updated 2 weeks ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆76Updated 2 years ago
- RDKit Tools for the IPython Notebook☆45Updated 6 years ago
- Materials from the 2023 RDKit UGM☆34Updated 10 months ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆119Updated 8 months ago
- A cheminformatics extension for the SQLAlchemy database toolkit.☆38Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆181Updated last week
- ☆85Updated last year
- Kinase-focused fragment library☆64Updated last week
- Scoring of shape and ESP similarity with RDKit☆206Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Materials from the 2022 UGM☆43Updated 2 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆65Updated last month
- Lightweight RDKit images for production deployment☆33Updated this week
- An open library to work with pharmacophores.☆37Updated last year
- ☆61Updated 2 months ago
- RDKit related blog posts, notebooks, and data.☆121Updated 3 weeks ago