GitHub - yunhzou/MLFFOpenMM: MLFF implementation from scratch with Python. For training purpose

yunhzou / MLFFOpenMM Public

MLFF implementation from scratch with Python. For training purpose

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Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
ANI_Plot		ANI_Plot
MLP_Plots		MLP_Plots
__pycache__		__pycache__
dataset		dataset
reference_scripts		reference_scripts
weight		weight
.env		.env
NE452 Project Report.docx		NE452 Project Report.docx
README.md		README.md
datageneration.py		datageneration.py
example_train.py		example_train.py
model_MLP.py		model_MLP.py
model_torch_ani.py		model_torch_ani.py
test.ipynb		test.ipynb
visualize_P_F.py		visualize_P_F.py