stan-his DeepFMPO issues - Githubissues

stan-his / DeepFMPO

Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"

MIT License

67 stars 27 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

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