dan2097 / jna-inchi
Wrapper to access InChI from Java
☆9Updated 2 months ago
Alternatives and similar repositories for jna-inchi
Users that are interested in jna-inchi are comparing it to the libraries listed below
Sorting:
- SMILES Depiction Generator☆57Updated last month
- RDKit wrapper☆49Updated last year
- A Fast Chemical Graph Generator☆80Updated 2 years ago
- Open source Java-based chemistry library☆97Updated this week
- IUPAC SMILES+ Specification☆38Updated last year
- Containerised components for cheminformatics and computational chemistry☆36Updated last year
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆44Updated 2 months ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆21Updated 7 months ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆21Updated 3 months ago
- Web Molecular Toolkit: cheminformatics functionality in TypeScript☆37Updated 2 months ago
- ☆29Updated 2 years ago
- SMILES reading benchmark☆16Updated 6 years ago
- Python wrapper for the ChemSpider API☆116Updated 6 years ago
- Create molecular hashes☆27Updated 5 years ago
- Molecular Query Language☆33Updated 10 months ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆97Updated 7 months ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 6 years ago
- In silico chemical library engine for high-accuracy chemical property prediction☆60Updated 2 weeks ago
- Groovy Cheminformatics with the Chemistry Development Kit☆41Updated 2 months ago
- MOlecule fRagmenTAtion fRamework☆21Updated this week
- An SQLite extension for chemoinformatics applications.☆58Updated 2 months ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆77Updated 3 years ago
- HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…☆19Updated 2 years ago
- ☆54Updated 5 years ago
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆39Updated 2 weeks ago
- volume calculation and segmentation☆32Updated 11 months ago
- ☆32Updated last month
- A validating SMILES parser, with support for incomplete SMILES☆26Updated 4 months ago
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆43Updated 7 months ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆19Updated last year