#

initial-geometries

Here is 1 public repository matching this topic...

Ramprasad-Group / PSP

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

polymer structure-prediction vasp-poscar smiles-strings lammps-input oligomer initial-geometries autonomous-model-generator amorphous-model crystal-model infinite-polymer-chain loop-oligomer

Updated Jan 12, 2024
Jupyter Notebook

Improve this page

Add a description, image, and links to the initial-geometries 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 initial-geometries topic, visit your repo's landing page and select "manage topics."