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file with .sdf of MOFs failed to calculate fingerprint and descriptors by Padelpy (verasion 0.1.11)
bug
Something isn't working
help wanted
Extra attention is needed
#37
opened Jul 16, 2022 by
shenglisa
Padelpy GPU version?
enhancement
New feature or request
help wanted
Extra attention is needed
#36
opened Apr 26, 2022 by
AnjaliSetiya
Convert to 3D is broken?
bug
Something isn't working
help wanted
Extra attention is needed
#34
opened Feb 2, 2022 by
naeemmrz
ProTip!
Exclude everything labeled
bug
with -label:bug.