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stan-his
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DeepFMPO
Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
MIT License
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Suggestion: Replace [Yb],[Lu] placeholders with '*' in SMILES strings of fragments
#7
madiha1ahmed
opened
1 year ago
0
Mean score drops to -1 after ~200 Iterations
#6
spadavec
closed
1 year ago
7
Thanks for this awesome work !! But how do we change the number of molecules to be optimized in the code ? for example if I give 5k molecules as lead, less than 500 only I am able to extract from the Show_Epoch procedure. . ?
#5
bengeof
opened
3 years ago
0
DELETE
#4
skongum02
closed
3 years ago
0
Some inconsistencies between code and paper
#3
MherMatevosyan
opened
4 years ago
1
Remove build specification from conda-environment.yml
#2
MCompChem
opened
5 years ago
0
Dev/py36+
#1
bp-kelley
closed
5 years ago
0