| 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_describtors
| Name | Description | Version | Minimum Galaxy Version |
|---|---|---|---|
| calculated with RDKit | 0.3 | any | |