yuh8 / SEEM Public

Structure encoder for embedding molecule

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Name		Name	Last commit message	Last commit date
Latest commit History 49 Commits
checkpoints		checkpoints
data		data
generator_model_2021-12-17		generator_model_2021-12-17
src		src
.gitattributes		.gitattributes
.gitignore		.gitignore
README.md		README.md
data_analysis.py		data_analysis.py
data_gen.py		data_gen.py
generated_molecules.csv		generated_molecules.csv
generated_molecules_valid_check.csv		generated_molecules_valid_check.csv
get_base_score.py		get_base_score.py
molecules_chembl.csv		molecules_chembl.csv
test_generator.py		test_generator.py
test_smiles_to_graph.py		test_smiles_to_graph.py
test_trained_model.py		test_trained_model.py
train_generator.py		train_generator.py