GitHub - sreenithyaa/molssi-python-webinar: This is code associated with the April 2020 MolSSI Python Webinar

MolSSI Python Webinar

This repository has code for the MolSSI Python Webinar

We covered:

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
.ipynb_checkpoints		.ipynb_checkpoints
__pycache__		__pycache__
data		data
.DS_Store		.DS_Store
Etot.txt		Etot.txt
Etot2.txt		Etot2.txt
Functions.ipynb		Functions.ipynb
Homework3_run_code-from_command_line.ipynb		Homework3_run_code-from_command_line.ipynb
MOISSI_1.ipynb		MOISSI_1.ipynb
Plotting.ipynb		Plotting.ipynb
README.md		README.md
THR4_ASP.png		THR4_ASP.png
THR4_ATP.png		THR4_ATP.png
TYR6_ASP.png		TYR6_ASP.png
TYR6_ATP.png		TYR6_ATP.png
Tabular_data.ipynb		Tabular_data.ipynb
Untitled.ipynb		Untitled.ipynb
all_sample.png		all_sample.png
analyze_mdout_refine.py		analyze_mdout_refine.py
create_directory.ipynb		create_directory.ipynb
data.zip		data.zip
energies.txt		energies.txt
file_parsing.ipynb		file_parsing.ipynb
geom_analysis.py		geom_analysis.py
git_configuration_details		git_configuration_details
homework1.ipynb		homework1.ipynb
homework2_refine.ipynb		homework2_refine.ipynb
homework_2.ipynb		homework_2.ipynb
new.ipynb		new.ipynb
test_geometry_analysis.py		test_geometry_analysis.py
two_samples.png		two_samples.png

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