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Use natural language to analyze molecules and run cheminformatics ML workflows.
Copy the install command and let the AI configure it · recommended for beginners
No copy-paste install info for "ChemLint" yet — see the docs or source repo.
Read this list of SMILES, calculate molecular weight, LogP, TPSA, and H-bond donor/acceptor counts for each molecule, then organize them into a table and summarize the main differences.
A descriptor table for each molecule plus a concise summary of the key property differences.
I have a dataset with molecular structures and activity labels. Please compute features, train a classification model, evaluate performance, and provide the most important features plus improvement suggestions.
A modeling workflow summary, evaluation metrics, feature importance results, and recommendations for improvement.
Analyze this set of candidate compounds, compare physicochemical properties and similarity, identify potential outliers, and generate a report suitable for a project review.
A report with structural and property analysis, outlier notes, and presentation-ready findings.
Perform explainable chemistry tasks like molecule parsing, conversion, and property lookup.
Search ChEMBL bioactivity data and compound properties from Claude or ChatGPT.
Interactively run and steer FAIRChem and ASE simulations with live monitoring.
Manage chemical inventory with search, stock deduction, history, and detail lookup.
Expose chemical engineering calculations for AI-driven analysis and application integration.
Use natural language to run computational chemistry modeling and analysis tasks.