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MorganCThomas
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MolScore
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
MIT License
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Master
#15
MorganCThomas
closed
3 years ago
0
Master
#14
MorganCThomas
closed
3 years ago
0
Master
#13
MorganCThomas
closed
3 years ago
0
Master
#12
MorganCThomas
closed
3 years ago
0
update env file
#11
MorganCThomas
closed
3 years ago
0
change carbon colour
#10
MorganCThomas
closed
3 years ago
0
logg diversity filter, change to pass true or false
#9
MorganCThomas
closed
3 years ago
0
add log_parameters to include arbritrary model parameters as columns
#8
MorganCThomas
closed
3 years ago
0
bug fixes including: fix deletion of pose files, coloured carbons and…
#7
MorganCThomas
closed
3 years ago
0
Master
#6
MorganCThomas
closed
3 years ago
0
Master
#5
MorganCThomas
closed
3 years ago
0
add neutralize_atoms; fix GetMosesMetric bug
#4
MorganCThomas
closed
3 years ago
0
upload moleval
#3
MorganCThomas
closed
3 years ago
0
Master
#2
MorganCThomas
closed
3 years ago
0
upload files
#1
MorganCThomas
closed
3 years ago
0
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