Data-Driven Force Fields for Large Scale Molecular Dynamics Simulations of Halide Perovskites

This repository hosts my research proposal in an interactive format. You can run it on binder:

Name		Name	Last commit message	Last commit date
.streamlit		.streamlit
Images		Images
pages		pages
CLAUDE.md		CLAUDE.md
Dockerfile		Dockerfile
Procfile		Procfile
README.md		README.md
README_DEPLOY.md		README_DEPLOY.md
app.py		app.py
ase_utils.py		ase_utils.py
data_utils.py		data_utils.py
fly.toml		fly.toml
main_gm.ipynb		main_gm.ipynb
postBuild		postBuild
reference-unknown-train2003-sym1.npz		reference-unknown-train2003-sym1.npz
requirements.txt		requirements.txt
requirements_streamlit.txt		requirements_streamlit.txt
runtime.txt		runtime.txt
utils.py		utils.py

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