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prfrl
/
Rxitect
connected to https://github.com/prfrl/Rxitect.git

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Message Author SHA1 Date
Add predictor training script   naisuu
d39d3f00a5
2 years ago
Update dvc.lock   naisuu
d4cac7861c
2 years ago
Add DVC tracked models and update pipeline for predictors   naisuu
a3b5aea98e
2 years ago
Ensure score is a double by taking avg   naisuu
e26535ac8f
2 years ago
Fix mol to smile parsing   naisuu
d972c4187a
2 years ago
Update to use drugex v2 algorithm properly with updates to agent   naisuu
3443680585
2 years ago
Add full working rl loop with tracking   naisuu
1fdb68af2c
2 years ago
fix f-string error   naisuu
4bf9dc04b4
2 years ago
Add all modifications along with RL loop   naisuu
317e9a0a05
2 years ago
add fine tune script   naisuu
1b761c3b66
2 years ago
add fine tuned selfies lstm to pipeline   naisuu
b4d70ebadf
2 years ago
Add property, env, objectives and finetune script   naisuu
0672e3b6a7
2 years ago
Update with recent runs and notebook   naisuu
fc37419b10
2 years ago
update config for training   naisuu
cd96ec77c4
2 years ago
Refactor settings for working run, reduce to 200k   naisuu
894fe9f813
2 years ago
Get working configuration for training   naisuu
7c676bce2d
2 years ago
Update config for memory issues   naisuu
067586c45b
2 years ago
Update dvc.lock with featurization stage   naisuu
2be6d2c49a
2 years ago
Fix overwriting chembl features file   naisuu
b858c2bcc5
2 years ago
Add dvc.lock with updated smiles hashes   naisuu
6f1068041c
2 years ago
Rollback dvc dependency on yml file, add perm. to git.   naisuu
53e9f21b73
2 years ago
Update dvc pipeline again   naisuu
b33ce131bc
2 years ago
Update dvc pipeline   naisuu
9a2df1adcc
2 years ago
rename pretrain file   naisuu
7de989fe35
2 years ago
Update to be agnostic of GRU or LSTM   naisuu
17a94e47fc
2 years ago
Refactor init method of generator   naisuu
1a5e4f9e8d
2 years ago
Udpate code to switch between LSTM and GRU   naisuu
918c3968e7
2 years ago
Refactor code to fix import errors based on code changes.   naisuu
57fce45a42
2 years ago
Update smiles generation script   naisuu
aae5a2810f
2 years ago
Update environment yaml file for unix   naisuu
70458fd311
2 years ago

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