/tools/eMolFrag

eMolFrag

liutairan/eMolFrag

GitHub
cheminformaticstoolsmall-moleculedrug-discovery
50 stars24 forksPythonAdded February 4, 2026
summary

eMolFrag is a Python-based tool designed for molecular fragmentation using the BRICS algorithm. It aids in the decomposition of small molecules for fragment-based drug design, making it useful for predicting molecular properties and generating new molecular structures.

description

eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.

topics

pythonfragmentsbrics-algorithmrdkit

Ratings

N/A
0 ratings

Rate this tool:

Comments (0)

Sign in to leave a comment.

No comments yet. Be the first to share your thoughts!