PyRank

Pubchem Python Packages

Python packages with the GitHub topic pubchem. Sorted by monthly downloads, with stars and forks.
mcs07
pubchempy

Python wrapper for the PubChem PUG REST API.

1.7M 516 126
HzaCode
cheminformant

⚗️ An all-in-one solution for chemical property retrieval from PubChem.

1K 53 5
Scigantic
scigantic-pubchem

A PubChemPy-inspired PUG REST client with throttle-aware retry, caching, BioAssay/gene/protein/Tox21 data, live cross-references into ChEMBL, BindingDB and the PDB, and a local parquet mirror for bulk CID lookups.

1K 4 1
USEtox
provesid

Access online services of chemical identifiers from Python

639 5 2
JonasRackl
labmate-mcp

Your AI lab companion — 78 MCP tools for literature, compounds, synthesis, benchwork, peptides & publication writing

472 3 0
vijayvkrishnan
openmix

Open-source framework for computational formulation science from ingredient validation to autonomous mixture optimization. The missing infrastructure layer between single-molecule tools (RDKit) and real-world formulation.

211 7 2
jonasrenault
pubchem-api-crawler

Python client for PubChem's API to crawl compounds and their properties using a molecular formula search query.

57 0 2
jonasrenault
cprex

Chemical Properties Relation Extraction

55 2 0
mawansui
pubchemprops

A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease

48 29 9