Automate molecular modeling and medicinal-chemistry workflows via a Python API.
npx skills add https://github.com/dralkh/seerai --skill rowan-dralkh
Please help me install this Agent Skill. Skill: rowan Source: https://github.com/dralkh/seerai/tree/main/skills/rowan Command: npx skills add https://github.com/dralkh/seerai --skill rowan-dralkh
Rowan removes the friction of running medicinal-chemistry and molecular-modeling pipelines locally by giving you a single Python API for scalable cloud computation, so you can focus on analysis instead of infrastructure.
Ask me to use Rowan to run the appropriate molecular modeling workflow for your SMILES strings, protein target, or sequence and summarize the resulting predictions.
High-intent search queries and answers about installing and using this skill.
Protein-ligand cofolding and conformer search are executed by submitting molecular inputs through the Python API, which automates cloud computation and returns typed structural predictions for reproducible analysis.
Batch screening for ADMET properties and docking scores is supported, allowing you to submit multiple SMILES strings, rank candidates by prediction results, and organize campaigns within project folders.
Yes, Rowan API authentication is required to execute cloud-based medicinal chemistry workflows, alongside workflow-specific molecular inputs and project organization for reproducible batch submission and polling.
Reproducible SAR studies and screening campaigns are managed using built-in projects, folders, webhooks, and batch submission features to organize molecular modeling tasks and typed results.
Analogue docking and tautomer generation are fully supported for small molecules, alongside pose refinement and conformer search, enabling comprehensive structure-based design workflows.
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