Name		Name	Last commit message	Last commit date
Latest commit History 39 Commits
figures		figures
.DS_Store		.DS_Store
GP PCA 25.png		GP PCA 25.png
Modified hackathon_dataset_2.csv		Modified hackathon_dataset_2.csv
PCA sweep.png		PCA sweep.png
README.md		README.md
RF PCA 25.png		RF PCA 25.png
SMILE-List_Embeddings.ipynb		SMILE-List_Embeddings.ipynb
Single-SMILE_Embeddings.ipynb		Single-SMILE_Embeddings.ipynb
Tanimoto informed.png		Tanimoto informed.png
XGB PCA 25.png		XGB PCA 25.png
XGBRegressor_PCA50.pkl		XGBRegressor_PCA50.pkl
XGBRegressor_n128.pkl		XGBRegressor_n128.pkl
XGBRegressor_n512.pkl		XGBRegressor_n512.pkl
XGBRegressor_n64.pkl		XGBRegressor_n64.pkl
app.py		app.py
gp.ipynb		gp.ipynb
hackathon_dataset_2.csv		hackathon_dataset_2.csv
mean prediction pca 25.png		mean prediction pca 25.png
real_app.py		real_app.py
requirements.txt		requirements.txt
test.ipynb		test.ipynb