Msci_project

Physics Msci project : Finding transition state analogue

Name		Name	Last commit message	Last commit date
Latest commit History 33 Commits
.ipynb_checkpoints		.ipynb_checkpoints
.spyproject		.spyproject
Data		Data
__pycache__		__pycache__
AAR.mol		AAR.mol
AlignmentInfo.py		AlignmentInfo.py
AtomGaussian.py		AtomGaussian.py
DK+clean.sdf		DK+clean.sdf
GAR.mol		GAR.mol
GaussianVolume.py		GaussianVolume.py
README.md		README.md
ShapeAlignment.py		ShapeAlignment.py
SolutionInfo.py		SolutionInfo.py
Untitled.ipynb		Untitled.ipynb
foo.csv		foo.csv
main.py		main.py
moleculeRotation.py		moleculeRotation.py
ref.mol		ref.mol
sangetan.mol		sangetan.mol
test.py		test.py
test1.csv		test1.csv
test2.csv		test2.csv
test2.txt		test2.txt

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