rdkit / rdkit-structure-renderer
JavaScript package for interactive rendering of 2D chemical structures in the browser.
☆18Updated last month
Related projects ⓘ
Alternatives and complementary repositories for rdkit-structure-renderer
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 years ago
- The PostgreSQL image, just extended with the RDKit cartridge☆15Updated 3 months ago
- Extraction and re-use(ability) of chemical information from common scientific documents containing ChemDraw files☆17Updated 3 years ago
- Lightweight RDKit images for production deployment☆33Updated 4 months ago
- The Chemical Data Processing Toolkit☆73Updated this week
- Simple package for fast molecular similarity searches☆112Updated this week
- Interactive data analysis and visualisation with chemical intelligence☆95Updated this week
- ☆63Updated 2 weeks ago
- ☆48Updated 3 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆180Updated this week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆65Updated 3 weeks ago
- An SQLite extension for chemoinformatics applications.☆55Updated 6 months ago
- A python package for chemical space visualization.☆114Updated 3 months ago
- Materials from the 2023 RDKit UGM☆34Updated 9 months ago
- Materials from the 2022 UGM☆43Updated 2 years ago
- An open set of tools for automating tasks relating to small molecules☆63Updated 3 years ago
- PostgreSQL Docker image with RDKit cartridge☆17Updated 4 years ago
- Tools to automatically convert and proccess cdx and cdxml files in python☆37Updated 5 months ago
- Schema for the Open Reaction Database☆95Updated last month
- RDKit Docker images☆18Updated 2 years ago
- Scoring of shape and ESP similarity with RDKit☆206Updated last year
- A cheminformatics extension for the SQLAlchemy database toolkit.☆38Updated last year
- Main InChI repository☆67Updated last week
- ☆55Updated 6 months ago
- QSARtuna: QSAR model building with the optuna framework☆98Updated 2 weeks ago
- A script to run structural alerts using the RDKit and ChEMBL☆130Updated last year
- Enable cheminformatics and quantum chemistry☆72Updated 10 months ago
- Containerised components for cheminformatics and computational chemistry☆35Updated last year
- Molecule Validation and Standardization☆159Updated 4 years ago
- rdkit scripts making life easier☆59Updated 2 weeks ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆36Updated 7 months ago