#

gasteiger

Here is 1 public repository matching this topic...

ForblazeProject / gasteiger-rs

A lightweight, zero-dependency Rust crate for Gasteiger-Marsili PEOE partial atomic charge assignment.

rust chemistry molecular-dynamics computational-chemistry chemoinformatics gasteiger forblaze

Updated Feb 18, 2026
Rust

Improve this page

Add a description, image, and links to the gasteiger topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the gasteiger topic, visit your repo's landing page and select "manage topics."