alevilla86 / smiles Public

Compares chemical compounds using Tanimoto Coefficient and Cosime Similarity

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Name		Name	Last commit message	Last commit date
Latest commit History 25 Commits
data		data
recommendations		recommendations
similar_cids		similar_cids
similarity_results		similarity_results
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
V2CalcularTanimoto.py		V2CalcularTanimoto.py
VITOR.otf		VITOR.otf
compound_ds_writer.py		compound_ds_writer.py
compound_parser.py		compound_parser.py
compound_properties.py		compound_properties.py
constants.py		constants.py
final_reccomendation_builder.py		final_reccomendation_builder.py
l_donovani_ACTIVE.txt		l_donovani_ACTIVE.txt
l_donovani_NOT_ACTIVE.txt		l_donovani_NOT_ACTIVE.txt
leishmania_activity_tests.py		leishmania_activity_tests.py
leishmania_activity_trainer.py		leishmania_activity_trainer.py
leishmania_donovani_activity_trainer.py		leishmania_donovani_activity_trainer.py
leishmania_semi_supervised.py		leishmania_semi_supervised.py
lesihmania_activity_predictions.py		lesihmania_activity_predictions.py
main.py		main.py
requirements.txt		requirements.txt
similarity_calc.py		similarity_calc.py
smiles.py		smiles.py
tests.py		tests.py