GitHub - yuh8/SEED: Structural Encoding for Evolutionary Drug Design

yuh8 / SEED Public

Structural Encoding for Evolutionary Drug Design

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Name		Name	Last commit message	Last commit date
Latest commit History 26 Commits
base_model		base_model
rl_model_2021-12-26		rl_model_2021-12-26
src		src
.gitattributes		.gitattributes
.gitignore		.gitignore
compare_qed.py		compare_qed.py
extract_smiles_from_file_name.py		extract_smiles_from_file_name.py
generate_similar_mol.py		generate_similar_mol.py
generator.py		generator.py
get_base_score.py		get_base_score.py
reinforce_ppo.py		reinforce_ppo.py
reinforce_ppo_distributed.py		reinforce_ppo_distributed.py