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fixed settings display

lmdupushed 1 commit to main • 8b24123…5b691b7 • 
on Sep 18, 2024

fixed vina scoring

lmdupushed 1 commit to main • ce9ade7…8b24123 • 
on Sep 18, 2024

Update worker.py

lmdupushed 1 commit to main • b8702e1…ce9ade7 • 
on Jul 3, 2024

Merge branch 'main' of https://github.com/lmdu/dockey

lmdupushed 2 commits to main • 70aab9d…b8702e1 • 
on Jul 3, 2024

update docs

lmdupushed 1 commit to main • dc3a26f…70aab9d • 
on Jun 19, 2024

fixed active sites

lmdupushed 1 commit to main • 86d8797…dc3a26f • 
on Jun 19, 2024

update docs

lmdupushed 1 commit to main • f4ac50b…86d8797 • 
on Jun 18, 2024

Update installation.rst

lmdupushed 1 commit to main • 7941672…f4ac50b • 
on Jun 18, 2024

Update build.yml

lmdupushed 1 commit to main • b381b49…7941672 • 
on Jun 18, 2024

fixed ob error

lmdupushed 1 commit to main • c906fac…b381b49 • 
on Jun 18, 2024

Update build.spec

lmdupushed 1 commit to main • 07e52be…c906fac • 
on Jun 16, 2024

update builder

lmdupushed 1 commit to main • 488515e…07e52be • 
on Jun 13, 2024

remove libs

lmdupushed 1 commit to main • bd1fbdd…488515e • 
on Jun 13, 2024

added version check

lmdupushed 1 commit to main • 73677c8…bd1fbdd • 
on Jun 12, 2024

fixed openbabel error

lmdupushed 1 commit to main • 6737660…73677c8 • 
on Jun 12, 2024

fixed openbabel error

lmdupushed 1 commit to main • 7e102f4…6737660 • 
on Jun 12, 2024

test for openbabel

lmdupushed 1 commit to main • 917ab4e…7e102f4 • 
on Jun 12, 2024

Update requirements.txt

lmdupushed 1 commit to main • 9ee8c9f…917ab4e • 
on Jun 11, 2024

Update build.yml

lmdupushed 1 commit to main • 9e5e31e…9ee8c9f • 
on Jun 11, 2024

Update requirements.txt

lmdupushed 1 commit to main • b387cdc…9e5e31e • 
on Jun 11, 2024

Update requirements.txt

lmdupushed 1 commit to main • 28781db…b387cdc • 
on Jun 11, 2024

Update build.yml

lmdupushed 1 commit to main • 10f1968…28781db • 
on Jun 11, 2024

Update pyi_rth_openbabel.py

lmdupushed 1 commit to main • 2e07a49…10f1968 • 
on Jun 11, 2024

added active binding sites

lmdupushed 1 commit to main • eda0af2…2e07a49 • 
on Jun 11, 2024

fixed preset binding sites

lmdupushed 1 commit to main • 46e2b1c…eda0af2 • 
on Jun 7, 2024

update

lmdupushed 1 commit to main • 0a3e54a…46e2b1c • 
on Jun 7, 2024

Update prepare.py

lmdupushed 1 commit to main • 3203d36…0a3e54a • 
on Jun 5, 2024

fixed preparation

lmdupushed 1 commit to main • 3dbf301…3203d36 • 
on Jun 5, 2024

fixed settings

lmdupushed 1 commit to main • aedeb44…3dbf301 • 
on Jun 4, 2024

complete settings

lmdupushed 1 commit to main • 2bf8765…aedeb44 • 
on Jun 4, 2024