GDB / Reymond Research Group
GDB / Reymond Research Group
tmap
A very fast visualization library for large, high-dimensional data sets.
faerun-python
A python module for generating interactive views of chemical spaces.
CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
lore
WebGL engine for (big) data visualization.
RAscore
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.