All Git Users → reymond-group

6 open source projects by reymond-group

1. Smilesdrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
✭ 146
javascript
2. map4
The MinHashed Atom Pair fingerprint of radius 2
3. drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
4. RAscore
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
6. tmap
A very fast visualization library for large, high-dimensional data sets.
1-6 of 6 user projects