Deep SMILES

Use deep learning to read SMILES sequences and predict ADMET properties.

Name		Name	Last commit message	Last commit date
Latest commit History 25 Commits
.gitignore		.gitignore
CYP1A2_conv1_functional_best.hdf5		CYP1A2_conv1_functional_best.hdf5
CYP1A2_conv1_sequential.ipynb		CYP1A2_conv1_sequential.ipynb
CYP1A2_conv1_sequential_best.hdf5		CYP1A2_conv1_sequential_best.hdf5
CYP1A2_fixpka.smi		CYP1A2_fixpka.smi
CYP1A2_roc.svg		CYP1A2_roc.svg
LICENSE		LICENSE
README.md		README.md
conv1d.ipynb		conv1d.ipynb
roc.svg		roc.svg

Provide feedback