jeppe742 / language_of_molecules Public

Master thesis written at DTU. Also source code for paper "Autoencoding Undirected Molecular Graphs With Neural Networks"

arxiv.org/pdf/2001.03517.pdf

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 27 Commits
data		data
layers		layers
misc		misc
saved_models		saved_models
test		test
utils		utils
.gitignore		.gitignore
MasterThesis.pdf		MasterThesis.pdf
README.md		README.md
Showcase zinc.ipynb		Showcase zinc.ipynb
Showcase.ipynb		Showcase.ipynb
data_prep_qm9.py		data_prep_qm9.py
data_prep_zinc.py		data_prep_zinc.py
data_prep_zinc_qed.py		data_prep_zinc_qed.py
preprocess.ipynb		preprocess.ipynb
runjob.sh		runjob.sh
test.py		test.py
test_db.py		test_db.py
train.py		train.py
train_dummy.py		train_dummy.py
view.sql		view.sql