PyRank

Pubchem Python Packages

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

Python wrapper for the PubChem PUG REST API.

5.4M 505 121
HzaCode
cheminformant

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

2K 50 4
NanoBiostructuresRG
harmonsmile

Toolkit for harmonizing SMILES strings to canonical + isomeric + Kekulized convention (RDKit)

1K 0 0
JonasRackl
labmate-mcp

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

767 2 0
USEtox
provesid

Access online services of chemical identifiers from Python

631 3 2
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.

408 6 1
mawansui
pubchemprops

This is a simple wrapper for PubChem PUG REST API that helps to get various information from PubChem

125 28 9
jonasrenault
pubchem-api-crawler

PubChem REST API crawler to retrieve compound properties using a molecular formula search

122 0 2
jonasrenault
cprex

Chemical Properties Relation Extraction

115 2 0