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isayevlab
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pKa-ANI
Accurate prediction of protein pKa with representation learning
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Additional flags for pkaani to fine tune computation
#9
lpravda
opened
4 months ago
2
update scikit-learn dependency
#8
lpravda
closed
4 months ago
3
mmcif support
#7
lpravda
opened
5 months ago
2
added chain specific filtering to prevent extraneous pKa predictions
#6
sastrys1
closed
6 months ago
0
pKa-ANI produces bogus pKa predictions for non-titratable residues because chain ID is not accounted for
#5
sastrys1
closed
6 months ago
2
slight tweaks to input handling to print help messages
#4
sastrys1
closed
10 months ago
0
conda pytorch command not working
#3
nwmoriarty
closed
2 years ago
1
missing scikit-learn dependency
#2
aozalevsky
closed
1 year ago
1
slightly better results object
#1
nwmoriarty
closed
2 years ago
1