RDKit is a collection of cheminformatics and machine-learning software. Home page: https://github.com/rdkit/rdkit License: BSD |
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/ctb_rdkit_descriptors
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
calculated with RDKit | 0.4 | 16.01 |