PyRank

Chemical Reactions Python Packages

Python packages with the GitHub topic chemical-reactions. Sorted by relevance, with stars and monthly downloads.
MolecularAI
aizynthfinder

A tool for retrosynthetic planning

10K 831 174
harirakul
chemlib

🧪 A comprehensive chemistry library for Python.

2K 66 16
rxn4chemistry
rxnfp

chemical reaction fingerprints

979 208 53
sinagilassi
pyreactlab-core

PyReactLab-Core is the core foundation of the PyReactLab ecosystem, offering shared data structures and algorithms for chemical reaction representation, stoichiometry, and reaction analysis.

926 1 0
sustainable-processes
orderly

Extraction and cleaning of chemical reactions data from ORD

316 124 12
lcmd-epfl
navicat-mikimo

A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.

124 15 3
rohankishore
promethium-py

A Python tool for accessing a comprehensive, offline database of elements, isotopes, and chemical properties. Built for students, developers,and researchers.

63 5 0