cdk / depictLinks
SMILES Depiction Generator
☆61Updated last month
Alternatives and similar repositories for depict
Users that are interested in depict 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 6 months ago
- Create molecular hashes☆27Updated 6 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆79Updated 3 years ago
- Python-based Informatics Kit for Analysing Chemical Units☆74Updated 2 weeks ago
- IUPAC SMILES+ Specification☆40Updated 2 years ago
- Name Reaction Ontology☆44Updated 2 years ago
- An SQLite extension for chemoinformatics applications.☆61Updated 2 months ago
- In silico chemical library engine for high-accuracy chemical property prediction☆62Updated 7 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆82Updated last week
- SMILES reading benchmark☆16Updated 7 years ago
- LillyMol Public Code☆125Updated 3 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆80Updated last month
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆113Updated 5 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 10 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆95Updated last month
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆91Updated 2 weeks ago
- chemalot: a command-line cheminformatics open-source package☆38Updated 2 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆61Updated 2 weeks ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Updated 3 years ago
- ☆99Updated 9 months ago
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Write reproducible code for getting and processing ChEMBL☆85Updated 3 months ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆22Updated this week
- Main InChI repository☆101Updated this week
- Interactive data analysis and visualisation with chemical intelligence☆137Updated 2 weeks ago
- Enable cheminformatics and quantum chemistry☆77Updated last year
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- Molecular standardisation tool☆77Updated 5 years ago