API documentation

stpy.utils.safe_canonicalsmi_from_smiles(smi)

Safely generate canonical SMILES from input SMILES string.

stpy.utils.molecule_standardize(smiles[, ...])

Convenience wrapper around MoleculeStandardizer.

stpy.utils.get_fingerprint(smiles[, fp, ...])

Memory‑optimized molecular fingerprint generator.

stpy.utils.get_fingerprints_df(df[, ...])

Compute fingerprints for all SMILES in a DataFrame.

stpy.utils.concat_fingerprints(smiles[, ...])

Generate and concatenate multiple fingerprints for a single molecule.

stpy.utils.concat_fingerprints_df(df[, ...])

Compute concatenated fingerprints for all SMILES in a DataFrame.

stpy.utils.fp_manipulate(df, fp1, fp2[, mani])

Concatenate or sum two fingerprint columns in a DataFrame.

stpy.utils.cas2smiles([cas_number])

Convert CAS number to SMILES using PubChem PUG-REST API.

stpy.summarize_gScholarAlerts.fetch_unread_emails(...)

Fetch_unread_emails from Gmail with specific label and since certain days

stpy.summarize_gScholarAlerts.parse_email(...)

Parse fetched emails.

stpy.summarize_gScholarAlerts.extract_publication_details(...)

Extract publication details from the HTML content of the email.

stpy.summarize_gScholarAlerts.get_more_info(...)

Get more information from DOI and URL.

stpy.summarize_gScholarAlerts.get_publication_details(doi)

Retrieve publication details including abstract using DOI from the CrossRef API.

stpy.summarize_gScholarAlerts.is_pdf_url(url)

Check if the URL points to a PDF file by examining headers.

stpy.summarize_gScholarAlerts.extract_text_from_pdf(pdf_url)

Download a PDF from a URL and extract its text without saving it locally.

stpy.summarize_gScholarAlerts.extract_text_from_webpage(web_url)

Extract text from an HTML webpage.

stpy.summarize_gScholarAlerts.extract_publication_info(url)

Extract publication details based on whether the URL is a PDF or a web page.

stpy.summarize_gScholarAlerts.summarize_publications(...)

Summarize publications from Google Scholar Alerts and save to CSV file.

Indices and tables