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Installation of Environment Specific Dependencies:

conda install -c conda-forge openbabel
conda install -c conda-forge qvina
pip install -r requirements.txt

Name		Name	Last commit message	Last commit date
Latest commit History 208 Commits
ReLeaSE_Vina		ReLeaSE_Vina
cfgs		cfgs
models		models
scripts		scripts
.gitignore		.gitignore
README.md		README.md
Untitled.ipynb		Untitled.ipynb
data.py		data.py
docking.py		docking.py
optimizer.py		optimizer.py
train_ac_rnn.py		train_ac_rnn.py
train_prior_agent.py		train_prior_agent.py
train_reinforce_fc_agent.py		train_reinforce_fc_agent.py
train_reinforce_rnn_agent.py		train_reinforce_rnn_agent.py
train_reinforce_trans_agent.py		train_reinforce_trans_agent.py
train_reinvent_prior_agent.py		train_reinvent_prior_agent.py
train_reinvent_reg_agent.py		train_reinvent_reg_agent.py
train_reinvent_replay_agent.py		train_reinvent_replay_agent.py

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