pharmahacks-25

Winner of Challenge 1: Kinase Inhibitor Selectivity :))

To run this:

Sorry for this being split into 3 notebooks. I cannot code.

Run training.ipynb to save the models.
Run results.ipynb to run the test data.
Run selectivity_scores.ipynbwith the generated csv files to generate selectivity scores.

PharmaHacks Presentation.pptx (PowerPoint)

PharmaHacks Presentation.pdf (PDF)

Name		Name	Last commit message	Last commit date
Latest commit History 28 Commits
csv_tables		csv_tables
embeddings		embeddings
models		models
molecular_forecaster		molecular_forecaster
notebooks		notebooks
results		results
saved_kd_categorizations		saved_kd_categorizations
tables		tables
test_data		test_data
.gitignore		.gitignore
3000_kd_category.csv		3000_kd_category.csv
3000_kd_classifier_weights.pkl		3000_kd_classifier_weights.pkl
300_kd_category.csv		300_kd_category.csv
300_kd_classifier_weights.pkl		300_kd_classifier_weights.pkl
PharmaHacks Presentation.pdf		PharmaHacks Presentation.pdf
PharmaHacks Presentation.pptx		PharmaHacks Presentation.pptx
README.md		README.md
clf_300.json		clf_300.json
clf_3000.json		clf_3000.json
results.ipynb		results.ipynb
selectivity_scores.ipynb		selectivity_scores.ipynb
training.ipynb		training.ipynb