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CLI tools

All tools are table-first. Optional dependencies are behind extras such as [viz] and [web].

`molscope-server`

Starts the Streamlit UI. Supports both SMILES → table (when core toolkit is installed) and table → artifacts workflows.

`molscope-visualize`

Creates a PCA/UMAP projection from a results table and writes an interactive HTML scatter plot plus projection CSV.

Planned

molscope-mmp, molscope-sar, molscope-pareto, molscope-lookup, molscope-bioisostere.

Core toolkit

For calculators and schema authority, see MolProp Toolkit docs.