#
chem
Here are 9 public repositories matching this topic...
Transfrormation between Cartesian coordinates and redundant internal coordinates
chemistry computational-chemistry computational-physics coordinates chem coordinate-transformation electronic-structure phys internal-coordinates internal-redundant-coordinates geometry-optimization
-
Updated
Jun 2, 2022 - C++
A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
-
Updated
Apr 25, 2022 - Python
Alternate Sources and Energy - Chemistry Project
-
Updated
Apr 21, 2016 - CSS
Deep Learning for Chem
-
Updated
May 17, 2020 - Python
Improve this page
Add a description, image, and links to the chem topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the chem topic, visit your repo's landing page and select "manage topics."