DrugDesign

Code for the paper :

Conditional Reduction of the Loss Value Versus Reinforcement Learning for Biassing a de-novo Drug Design Generator

Name		Name	Last commit message	Last commit date
Latest commit History 159 Commits
all_data		all_data
gen_smis		gen_smis
models		models
1_training_G.ipynb		1_training_G.ipynb
2_CRLV_biased_G__1.ipynb		2_CRLV_biased_G__1.ipynb
2_CRLV_biased_G__2.ipynb		2_CRLV_biased_G__2.ipynb
2_CRLV_biased_G__3.ipynb		2_CRLV_biased_G__3.ipynb
2_CRLV_biased_G__4.ipynb		2_CRLV_biased_G__4.ipynb
2_RL_biased_G__1.ipynb		2_RL_biased_G__1.ipynb
2_RL_biased_G__2.ipynb		2_RL_biased_G__2.ipynb
2_RL_biased_G__3.ipynb		2_RL_biased_G__3.ipynb
2_RL_biased_G__4.ipynb		2_RL_biased_G__4.ipynb
Data_exploration&analysis.ipynb		Data_exploration&analysis.ipynb
README.md		README.md
utils.py		utils.py