$ loading_
Run computational chemistry and drug discovery workflows with Schrödinger Suites automation.
Copy the install command and let the AI configure it · recommended for beginners
No copy-paste install info for "schrodinger-mcp" yet — see the docs or source repo.
Use schrodinger-mcp to prepare the target protein from a PDB file, identify binding sites, and dock the provided small-molecule library. Return the top 20 candidate compounds with a scoring summary.
Protein preparation results, docking rankings, key interaction summaries, and a top-20 candidate list.
Use schrodinger-mcp to run ADMET predictions for this set of candidate compounds, filter for molecules with better oral availability and lower toxicity risk, and generate a summary table.
ADMET metrics for each compound, filtering conclusions, and a shortlist for further experiments.
Using schrodinger-mcp, set up a QM/MM calculation job for the specified protein-ligand complex, submit it, track execution status, and summarize the key energy results when finished.
Job configuration details, status tracking records, result summaries, and key energy analysis conclusions.
Interactively run and steer FAIRChem and ASE simulations with live monitoring.
Generate structured sales intelligence reports with competitor analysis and visit logging.
Use natural language to analyze molecules and run cheminformatics ML workflows.
Search ChEMBL bioactivity data and compound properties from Claude or ChatGPT.
Turn natural language into quantum circuits and run them on IBM Quantum.
Generate XTB quantum chemistry inputs and automate computational research workflows.