dan2097 / opsinLinks
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
☆192Updated last month
Alternatives and similar repositories for opsin
Users that are interested in opsin are comparing it to the libraries listed below
Sorting:
- Interactive data analysis and visualisation with chemical intelligence☆147Updated last week
- Molecule Validation and Standardization☆179Updated 5 years ago
- Scoring of shape and ESP similarity with RDKit☆233Updated 5 months ago
- A feeble attempt at molecular recognition (in the literal sense)☆65Updated last year
- LillyMol Public Code☆130Updated 4 months ago
- Simple package for fast molecular similarity searches☆160Updated last week
- Schema for the Open Reaction Database☆109Updated 6 months ago
- Text mining of chemical reactions☆112Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆203Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆270Updated 8 months ago
- lwreg is a lightweight registration system for chemical registration and data storage.☆81Updated 3 weeks ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆87Updated last month
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆114Updated 6 months ago
- IUPAC SMILES+ Specification☆41Updated 2 years ago
- The Chemical Data Processing Toolkit☆108Updated last week
- Simple RDKit molecule editor GUI using PySide☆167Updated last year
- A python package for chemical space visualization.☆150Updated last year
- ☆124Updated 2 years ago
- Force fields produced by the Open Force Field Initiative☆174Updated 2 weeks ago
- Main InChI repository☆104Updated this week
- the simple alchemistry library☆232Updated this week
- A script to run structural alerts using the RDKit and ChEMBL☆155Updated 2 years ago
- RDKit related blog posts, notebooks, and data.☆152Updated this week
- Some useful RDKit functions☆214Updated 2 weeks ago
- ☆113Updated 5 years ago
- CAlculation of NMR Chemical Shifts using Deep LEarning☆63Updated 2 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆199Updated 4 years ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆219Updated last week
- Python wrapper for the IBM RXN for Chemistry API☆233Updated last month
- Chemical structure detection and segmentation tool for Journal articles.☆133Updated last week