{"repo":"HzaCode/ChemInformant","free":true,"listed":false,"github":"https://github.com/HzaCode/ChemInformant","clone":"git clone https://github.com/HzaCode/ChemInformant.git","description":"⚗️ An all-in-one solution for chemical property retrieval from PubChem.","language":"Python","stars":53,"topics":["caching","cheminformatics","chemistry","pubchem","python","rest-api","smiles","compound-search","api-client","batch-processing"],"license":"MIT","category":"api-integrations-sdks","readme_excerpt":"ChemInformant A Robust Data Acquisition Engine for the Modern Scientific Workflow --- ChemInformant is a robust data acquisition engine for the PubChem database, engineered for the modern scientific workflow. It intelligently manages network requests, performs rigorous runtime data validation, and delivers analysis-ready results, providing a dependable foundation for any computational chemistry project in Python. --- ✨ Key Features Analysis-Ready Pandas Output with SQL Export: The core API ( get properties ) returns a clean Pandas DataFrame, and a dedicated df to sql() helper (plus the chemfetch --format sql CLI mode) persists results directly into SQLite / PostgreSQL / any SQLAlchemy backend — so you can move from query to database in two lines without hand-writing wrangling code. Automated Network Reliability: Ensures your workflows run flawlessly with built-in persistent caching, smart rate-limiting, and automatic retries. It also transparently handles API pagination ( ListKey ) for large-scale queries, delivering complete result sets without any manual intervention. Flexible & Fault-Tolerant Input: Natively accepts mixed lists of identifiers (names, CIDs, SMILES) and intelligently handles any invalid inputs by flagging them with a clear status in the output, ensuring a single bad entry never fails an entire batch operation. A Dual API for Simplicity and Power: Offers a clear get () convenience layer for quick lookups, backed by a powerful get properties engine for high-pe","default_branch":null,"files":null,"tree":[],"storefront":"/r/HzaCode","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/HzaCode/ChemInformant/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}