This project wraps an MCP (Model Context Protocol) around Rowan's tools, making it easy for users to submit complex chemistry and biology calculations in natural everyday language.
Tools
submit_basic_calculation_workflow
submit_conformer_search_workflow
submit_solubility_workflow
submit_pka_workflow
submit_redox_potential_workflow
submit_fukui_workflow
submit_tautomer_search_workflow
submit_descriptors_workflow
submit_scan_workflow
submit_irc_workflow
submit_protein_cofolding_workflow
submit_docking_workflow
submit_macropka_workflow
submit_strain_workflow
submit_ion_mobility_workflow
submit_double_ended_ts_search_workflow
submit_pose_analysis_md_workflow
submit_batch_docking_workflow
submit_msa_workflow
batch_submit_workflow
submit_admet_workflow
submit_conformers_workflow
submit_hydrogen_bond_basicity_workflow
submit_multistage_opt_workflow
submit_spin_states_workflow
molecule_lookup
batch_molecule_lookup
validate_smiles
workflow_stop
workflow_delete
retrieve_workflow
retrieve_calculation_molecules
list_workflows
workflow_update
workflow_delete_data
create_protein_from_pdb_id
retrieve_protein
list_proteins
upload_protein
delete_protein
sanitize_protein
Server Config
{
"mcpServers": {
"rowan": {
"command": "uvx",
"args": [
"--from",
"rowan-mcp",
"rowan-mcp"
],
"env": {
"ROWAN_API_KEY": "your_api_key_here"
}
}
}
}