Molecular predictions and docking without local HPC.
Runs hosted molecular-modeling workflows to return property predictions, molecular ensembles, docking poses, and protein-modeling results.
When to use it
Use for programmatic medicinal-chemistry and molecular-design workflows without maintaining local HPC infrastructure or provisioning GPUs.
Give it a molecular-modeling request with the appropriate molecular inputs; it submits a hosted workflow and returns its results.
Requires Python 3.12 or later.
Uses rowan-python, with installation instructions pinned to version 3.2.0.
This skill
Rowan
Credit-consuming hosted calculations (irreversible)
Uploads molecular inputs to Rowan
rowan-python
Installs the Rowan Python SDK