GitHub - the-hktran/6.862Project: Fitting torsional PES using ML.

Name		Name	Last commit message	Last commit date
Latest commit History 20 Commits
Baseline.py		Baseline.py
CoulombMatrix.py		CoulombMatrix.py
KernelRR.py		KernelRR.py
Labels.py		Labels.py
Main.py		Main.py
NeuralNet.py		NeuralNet.py
ReadQM8.py		ReadQM8.py
RunPYSCF.py		RunPYSCF.py
SizeMatters.py		SizeMatters.py
elements		elements
qm8.sdf		qm8.sdf
qm8.sdf.csv		qm8.sdf.csv

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Fitting torsional PES using ML.

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