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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.
Search ChEMBL bioactivity data and compound properties from Claude or ChatGPT.
Interactively run and steer FAIRChem and ASE simulations with live monitoring.
Look up compounds and calculate molecular weights and isotope distributions.
Build, debug, and manage software tasks with natural language across LLMs.
Control ChimeraX for molecular visualization, analysis, screenshots, and session management.
Delegate low-risk tasks to a cheaper model with main-agent review.