dan2097 / jna-inchi
Wrapper to access InChI from Java
☆9Updated this week
Alternatives and similar repositories for jna-inchi:
Users that are interested in jna-inchi are comparing it to the libraries listed below
- Open source Java-based chemistry library☆93Updated this week
- SMILES Depiction Generator☆55Updated last month
- RDKit wrapper☆49Updated 10 months ago
- A Fast Chemical Graph Generator☆78Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 weeks ago
- Python wrapper for the ChemSpider API☆113Updated 6 years ago
- IUPAC SMILES+ Specification☆36Updated last year
- An SQLite extension for chemoinformatics applications.☆56Updated 9 months ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆35Updated 2 weeks ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆97Updated 4 months ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆75Updated 3 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated last year
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆31Updated last week
- SMILES Toolkit☆24Updated last month
- In silico chemical library engine for high-accuracy chemical property prediction☆58Updated last week
- A cheminformatics extension for the SQLAlchemy database toolkit.☆39Updated last year
- ☆32Updated 4 years ago
- Interactive data analysis and visualisation with chemical intelligence☆107Updated last week
- An open set of tools for automating tasks relating to small molecules☆64Updated 3 years ago
- AstraZeneca add-ons to Orange.☆22Updated 4 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆31Updated 5 years ago
- volume calculation and segmentation☆28Updated 9 months ago
- Simple RDKit molecule editor GUI using PySide☆144Updated last month
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 6 years ago
- Molecular Query Language☆30Updated 7 months ago
- Main InChI repository☆77Updated last week
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆21Updated 4 months ago
- ☆68Updated this week
- QSARtuna: QSAR model building with the optuna framework☆114Updated 3 months ago