imppat-downloader 1.0.0

Command-line tool to download compound structures from the IMPPAT database

IMPPAT Downloader

A command-line tool to download compound structures from the IMPPAT database in bulk. Built for researchers, bioinformaticians, and cheminformatics enthusiasts who want quick access to phytochemical structure files.

Installation

Option 1: From source Clone this repo and install dependencies:

git clone https://github.com/Eswar-mse/imppat_downloader.git
cd imppat_downloader
pip install -e .

Option 2: From PyPI (when you publish)

pip install imppat_downloader

Usage

Run the tool from the command line:

imppat_downloader --start 1 --end 100 --delay 2

Options

--start → first compound ID (default: 1)

--end → last compound ID (default: 10)

--delay → delay between requests in seconds (default: 2)

--skip-existing → skip already-downloaded files

Example

Download compounds 1–50 with a 3-second delay:

imppat_downloader --start 1 --end 50 --delay 3

Output

• Each compound gets its own folder named by ID.
• Downloaded files include available structure formats (.sdf, .mol, .smi, etc.).
• A manifest.csv file tracks successes and failures with timestamps.

Requirements

Python 3.8 or higher Dependencies: requests, beautifulsoup4

License

This project is licensed under the Apache License 2.0 – see the LICENSE file for details.