NMR_classifier

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Name		Name	Last commit message	Last commit date
__pycache__		__pycache__
analysis		analysis
cam		cam
data_loaders		data_loaders
final_data		final_data
hack_folder/hack_class		hack_folder/hack_class
individual_molecule_classifier		individual_molecule_classifier
job_files		job_files
models		models
molecule_lists		molecule_lists
molecule_plot		molecule_plot
old_models/alkene10000		old_models/alkene10000
sorter_test_outputs		sorter_test_outputs
18426.png		18426.png
200x200_image.jpg		200x200_image.jpg
32x32_image.jpg		32x32_image.jpg
32x32model.pth		32x32model.pth
C=O_list.pkl		C=O_list.pkl
CAM.py		CAM.py
[1.0]alcohol36570cnn.pth		[1.0]alcohol36570cnn.pth
alcohol_list.pkl		alcohol_list.pkl
aldehyde_list.pkl		aldehyde_list.pkl
alkene1000cnn.pth		alkene1000cnn.pth
alkene10cnn.pth		alkene10cnn.pth
alkene18262cnn.pth		alkene18262cnn.pth
alkene200cnn.pth		alkene200cnn.pth
alkene20cnn.pth		alkene20cnn.pth
alkene400cnn.pth		alkene400cnn.pth
alkene5000cnn.pth		alkene5000cnn.pth
alkene600cnn.pth		alkene600cnn.pth
alkene800cnn.pth		alkene800cnn.pth
alkene80cnn.pth		alkene80cnn.pth
alkene9000cnn.pth		alkene9000cnn.pth
alkene_hopefully.png		alkene_hopefully.png
alkene_list.pkl		alkene_list.pkl
alkenecnn.pth		alkenecnn.pth
amide1000cnn.pth		amide1000cnn.pth
amide1050cnn.pth		amide1050cnn.pth
amide10cnn.pth		amide10cnn.pth
amide1500cnn.pth		amide1500cnn.pth
amide16464cnn.pth		amide16464cnn.pth
amide2500cnn.pth		amide2500cnn.pth
amide_list.pkl		amide_list.pkl
array_tester.py		array_tester.py
cam.zip		cam.zip
cam_visualization.jpg		cam_visualization.jpg
classifier_env.yml		classifier_env.yml
classifier_environment.yml		classifier_environment.yml
cnn.pth		cnn.pth
cnn2.pth		cnn2.pth
cosy_generator.py		cosy_generator.py
environment.yml		environment.yml
epoxide_list.pkl		epoxide_list.pkl
ester_list.pkl		ester_list.pkl
ether_list.pkl		ether_list.pkl
experimental_images.png		experimental_images.png
first_image_in_datset.jpg		first_image_in_datset.jpg
first_image_in_datset.png		first_image_in_datset.png
fluorine_list.pkl		fluorine_list.pkl
get-pip.py		get-pip.py
get-pip.txt		get-pip.txt
grayscale_image_1530.png		grayscale_image_1530.png
halogen_list.pkl		halogen_list.pkl
hopeful_ketone.png		hopeful_ketone.png
horror_show.py		horror_show.py
image_creation.py		image_creation.py
image_sorter.py		image_sorter.py
imine_list.pkl		imine_list.pkl
index_generation.py		index_generation.py
index_smile_dict.pkl		index_smile_dict.pkl
individual_model_test.py		individual_model_test.py
individual_molecule_classifier.py		individual_molecule_classifier.py
job_builder.py		job_builder.py
job_executer.py		job_executer.py
job_executer.sh		job_executer.sh
job_inspector.py		job_inspector.py
ketone10cnn.pth		ketone10cnn.pth
ketone17706cnn.pth		ketone17706cnn.pth
ketone2000cnn.pth		ketone2000cnn.pth
ketone4000cnn.pth		ketone4000cnn.pth
ketone5000cnn.pth		ketone5000cnn.pth
ketone8850cnn.pth		ketone8850cnn.pth
ketone_list.pkl		ketone_list.pkl
ketonecnn.pth		ketonecnn.pth
layer_inspector.py		layer_inspector.py
ll_numba_mpi_array.sh		ll_numba_mpi_array.sh
memory_plot.png		memory_plot.png
memory_profile_results.txt		memory_profile_results.txt
memory_usage_ploter.py		memory_usage_ploter.py
molecule.png		molecule.png
molecule1530.png		molecule1530.png
molecule_plotter.py		molecule_plotter.py
mprofile_20231101131843.dat		mprofile_20231101131843.dat
mprofile_20231101131902.dat		mprofile_20231101131902.dat
mprofile_20231101132617.dat		mprofile_20231101132617.dat
mprofile_20231110144222.dat		mprofile_20231110144222.dat
mprofile_20231116150912.dat		mprofile_20231116150912.dat
neural_network.py		neural_network.py
neural_network_test.py		neural_network_test.py
non_C=O_list.pkl		non_C=O_list.pkl
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