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wenhao-gao
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mol_opt
MIT License
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Add reinvent-transformer method
#31
explcre
closed
5 months ago
0
Question about AUC
#30
pyli0628
closed
7 months ago
0
How is AUC Top-10 computed
#29
pyli0628
closed
7 months ago
0
Discrepancies in Reproducing Results for Hyperparameter Tuning in REINVENT
#28
ankur56
opened
11 months ago
3
Specific command to reproduce results?
#27
AustinT
opened
11 months ago
0
Change logging in optimization to record auc_top10.
#26
AustinT
opened
11 months ago
0
Folders for some baselines seem to be missing
#25
qky18
closed
1 year ago
2
Question about top auc metric
#24
vincrichard
opened
1 year ago
2
Results Reproduction
#23
pvaras8
closed
1 year ago
0
question about smiles_bar and smiles_aug_mem
#22
futianfan
closed
1 year ago
2
new commit
#21
futianfan
closed
1 year ago
2
Augmented Memory and Best Agent Reminder added
#20
GuoJeff
closed
1 year ago
2
Which version of rdkit to use to reproduce the original results?
#19
RajGhugare19
opened
1 year ago
4
SMILES AHC; ChemistryFilters
#18
MorganCThomas
closed
1 year ago
2
synnet some update
#17
wenhao-gao
closed
2 years ago
0
Repeat Result
#16
PigUnderRoof
closed
2 years ago
3
dog gen add early stop
#15
wenhao-gao
closed
2 years ago
0
synnet runnable
#14
wenhao-gao
closed
2 years ago
0
update molgpu02
#13
wenhao-gao
closed
2 years ago
0
clean stoned and upgrade to batch
#12
wenhao-gao
closed
2 years ago
0
GflowNet AL logits nan problem
#11
wenhao-gao
closed
2 years ago
0
Pasithea changed to online
#10
wenhao-gao
closed
2 years ago
0
update mol1
#9
wenhao-gao
closed
2 years ago
0
chembo runnable
#8
wenhao-gao
closed
2 years ago
0
add code of boss
#7
wenhao-gao
closed
2 years ago
0
add
#6
wenhao-gao
closed
2 years ago
0
restructure; wandb mode change
#5
wenhao-gao
closed
2 years ago
0
Revert "molpal add"
#4
wenhao-gao
closed
2 years ago
0
molpal add
#3
wenhao-gao
closed
2 years ago
0
enabled multiple oracle runs
#2
wenhao-gao
closed
2 years ago
0
Initial framework
#1
wenhao-gao
closed
2 years ago
0