x-pug-utils 0.0.4

Parse PubChem PUG JSON into xsimple property and safety data.

x-pug-utils

Parse a PubChem PUG/PUG-View JSON document into the xsimple property and safety schema.

Environment setup

Python 3.10 or newer is required. Create and activate a virtual environment before installing the package:

python -m venv .venv

# Windows PowerShell
.venv\Scripts\Activate.ps1

# macOS/Linux
source .venv/bin/activate

Conda

conda create -n x-pug-utils python=3.12
conda activate x-pug-utils

Install

python -m pip install --upgrade pip
pip install x-pug-utils

# Upgrade to the latest release
pip install --upgrade x-pug-utils

x-pug-utils has no third-party runtime dependencies.

Usage

from x_pug_utils import parse_pug, parse_pug_file

result = parse_pug_file("COMPOUND_CID_2244.json")
# or: result = parse_pug(pug_json_dict)

The package uses only the Python standard library and always returns the xsimple schema.