Get Started#

Step-by-step guides for loading, filtering, and exporting data from the LCMD molecular database.

Molecules

Load molecular datasets, filter by properties, export to Polars/Pandas.

Reactions

Work with reaction datasets and participant molecules.

Fragments

Query typed fragment categories and filter by type.

Assembly

Combine fragment SMILES into full molecules using templates.

Typed Stubs

IDE autocomplete and type narrowing for property keys.

Configuration

Environment variables and settings.