Quickstart — drugs documentation

# Quickstart

## Installation

    pip install -e .

If you plan to build the docs, add the `docs` extra:

    pip install -e ".[docs]"

## Create a drug object

    from drugs import Drug, PUBCHEM_MINIMAL_STABLE

    # Start from any identifier
    aspirin = Drug.from_pubchem_cid(2244)
    # alternatives:
    # Drug.from_chembl_id("CHEMBL25")
    # Drug.from_inchikey("BSYNRYMUTXBXSQ-UHFFFAOYSA-N")

    print(aspirin.map_ids())

## Fetch properties and text

    props = aspirin.fetch_pubchem_properties()
    text = aspirin.fetch_pubchem_text(PUBCHEM_MINIMAL_STABLE)

## Mechanisms and targets

    mechs = aspirin.fetch_chembl_mechanisms()
    accessions = aspirin.target_accessions()
    genes = aspirin.target_gene_symbols()

## Embeddings

Plug in any embedding function. A trivial example:

    vec = aspirin.text_embedding(lambda s: s.upper())

## Report generation

    aspirin.write_drug_markdown(output_path="aspirin.md")
    # yields artifacts/embeddings when using cached embedding helpers