> ## Documentation Index
> Fetch the complete documentation index at: https://docs.kalarislabs.com/llms.txt
> Use this file to discover all available pages before exploring further.

# rowan — AI agent skill for chemistry and drug discovery

> Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API.

# `rowan`

> Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

**Category:** [chemistry-and-drug-discovery](/research-agent-skills/skills#chemistry-and-drug-discovery) · **License:** Proprietary (API key required) · **Version:** 1.5

## Install

```bash theme={null}
npx research-agent-skills install rowan
npx skills add KalarisLabs/research-agent-skills --skill rowan
```

## When to use it

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.

## Full playbook

Read [SKILL.md](https://github.com/KalarisLabs/research-agent-skills/blob/main/skills/rowan/SKILL.md) for the complete workflow, references and any scripts. The agent installer copies the full skill folder.


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