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kaist-amsg
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LocalRetro
Retrosynthesis prediction for organic molecules with LocalRetro
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Code for round-trip accuracy?
#20
najwalb
closed
6 months ago
3
Does the switch to GELU break backward compatibility?
#19
kmaziarz
closed
9 months ago
13
why not set use_symbol: False by default when extract retro template?
#18
queliyong
closed
11 months ago
2
How to filter out uncommon templates
#17
kmaziarz
closed
10 months ago
9
Accounting for multiple reactant sets in top-k accuracy calculations
#16
ghost
closed
1 year ago
3
DGL module error
#15
biotech7
closed
1 year ago
10
How to extract template and retrosynthesis from scratch
#14
sitanshubhunia
closed
1 year ago
15
The hyperlink for training data is currently not working
#13
damdaepark
closed
1 year ago
1
Ignoring stereochemistry in evaluation
#12
mikolajsacha
closed
1 year ago
4
Why check changed atoms between product and reactants for test data during preprocessing?
#11
mxc19912008
closed
1 year ago
1
specify batch-size data type
#10
bhadreshpsavani
closed
1 year ago
0
How to understand the difference of USPTO-MIT performance
#9
funtion
closed
2 years ago
3
How to use the trained model to predict the custom dataset?
#8
youcefBouraoui
closed
2 years ago
5
FileNotFoundError: [Errno 2] No such file or directory: 'models/LocalRetro_USPTO_MIT.pth'
#7
wiemta
closed
2 years ago
1
NameError: name 'LocalRetro' is not defined
#6
wiemta
closed
2 years ago
2
Update Run_preprocessing.py
#5
xiaohongniua
closed
2 years ago
5
update plan
#4
gunwook12
closed
2 years ago
1
Implement into python script
#3
pythonnewbie3
closed
2 years ago
2
Information leak?
#2
chaoyan1037
closed
2 years ago
2
Code updating
#1
WangYitian123
closed
2 years ago
2