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yiwenwang47
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equus
MIT License
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script to automate dataset generation
#13
yiwenwang47
opened
4 days ago
0
create a canonical smi dataset of PubChem molecules
#12
yiwenwang47
opened
4 days ago
0
performance benchmarks (speed) for the paper
#11
paparon9
opened
6 days ago
1
add requirements.txt
#10
dd-hebert
closed
1 week ago
1
Requirements.txt file
#9
paparon9
closed
1 week ago
0
remove -SHO2 molecules
#8
yiwenwang47
opened
2 weeks ago
1
Scaffolds
#7
yiwenwang47
closed
4 months ago
2
Switch to SMARTS
#6
yiwenwang47
closed
4 months ago
1
cooper
#5
yiwenwang47
closed
6 months ago
0
Primary amine generation
#4
yiwenwang47
closed
5 months ago
0
Fragmentation
#3
yiwenwang47
closed
1 month ago
1
Alkene to diamine
#2
yiwenwang47
closed
5 months ago
3
Search algo
#1
yiwenwang47
closed
7 months ago
0