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Commits · c1beafd5b76d55c29e8065d283aaaba471a5e675
bat2
Browse files
Sep 21, 2025
update configuration to deployment version
· c1beafd5
tomsko
authored
Sep 21, 2025
c1beafd5
massive... improve search quality, change result json structure'
· 7f12be52
tomsko
authored
Sep 21, 2025
7f12be52
Aug 13, 2025
fix confidence display bug with exact-match identifiers
· 50d089cc
tomsko
authored
Aug 13, 2025
50d089cc
shorten AF retry delay
· e0be71f2
tomsko
authored
Aug 13, 2025
e0be71f2
set similarity identifiers metrics to percentage
· 54065734
tomsko
authored
Aug 13, 2025
54065734
fix bug with PDB name fetching
· 69444aa8
tomsko
authored
Aug 13, 2025
69444aa8
fix bug in tasks saving overwriting itself
· 7ad2fbd4
tomsko
authored
Aug 13, 2025
7ad2fbd4
add accession field
· d88747ed
tomsko
authored
Aug 13, 2025
d88747ed
decrease upper limit of atoms for molecule to be considered for SMILES signature
· 8636906a
tomsko
authored
Aug 13, 2025
8636906a
enable multiprocess exec
· bb4761aa
tomsko
authored
Aug 13, 2025
bb4761aa
Aug 12, 2025
fix files not being stored as basename
· 684b7e83
tomsko
authored
Aug 12, 2025
684b7e83
automatically dump task progress during execution of tasklist
· 72d079fe
tomsko
authored
Aug 12, 2025
72d079fe
fetch protein name (from uniprot, using PDB ascension)
· 0d90bb14
tomsko
authored
Aug 12, 2025
0d90bb14
sort similarity identifiers by similarity score
· f18bb331
tomsko
authored
Aug 12, 2025
f18bb331
save all provided and loaded files
· c3fba6d2
tomsko
authored
Aug 12, 2025
c3fba6d2
Aug 10, 2025
fix bug with task_progress_info not being mutable through all tasks
· ebc2e63e
tomsko
authored
Aug 10, 2025
ebc2e63e
fix bug with task_progress_info not being mutable through all tasks
· e2b04c16
tomsko
authored
Aug 10, 2025
e2b04c16
improve error reporting, add additional metadata for simulations
· ed3510f7
tomsko
authored
Aug 10, 2025
ed3510f7
Jul 09, 2025
add support for (crude) segment classification into macromolecule categories
· 94e93ea7
tomsko
authored
Jul 09, 2025
94e93ea7
make alphafind fail faster
· 723b6eb6
tomsko
authored
Jul 09, 2025
723b6eb6
more alphafind debug logs
· bb0e88e1
tomsko
authored
Jul 09, 2025
bb0e88e1
fix bug with ssh deletion during deployment settings
· 054c9bf1
tomsko
authored
Jul 09, 2025
054c9bf1
add more logging
· 9d6838de
tomsko
authored
Jul 09, 2025
9d6838de
Jul 08, 2025
further restrict protein identification using SMILES
· e0f9ce9e
tomsko
authored
Jul 08, 2025
e0f9ce9e
update possible bug in pdb export if simulation contains corrupted data
· 8fd56c93
tomsko
authored
Jul 08, 2025
8fd56c93
add upper limit of atoms for signature generation using SMILES
· ee518b3d
tomsko
authored
Jul 08, 2025
ee518b3d
fix bug with export of atoms to mmcif file
· 2c53f1d8
tomsko
authored
Jul 08, 2025
2c53f1d8
fix bug with temporary uuid sharing
· 2054d657
tomsko
authored
Jul 08, 2025
2054d657
log close of the task-based logger handle
· abd496f2
tomsko
authored
Jul 08, 2025
abd496f2
update name of the log file
· 4d992413
tomsko
authored
Jul 08, 2025
4d992413
fix cache location w.r. to deployment
· 071631a6
tomsko
authored
Jul 08, 2025
071631a6
fix database location w.r. to deployment
· 2bf6bb3e
tomsko
authored
Jul 08, 2025
2bf6bb3e
fix bug with non-existing temporary section
· 92231422
tomsko
authored
Jul 08, 2025
92231422
update requirements
· 82193603
tomsko
authored
Jul 08, 2025
82193603
update .gitignore
· c0bf652d
tomsko
authored
Jul 08, 2025
c0bf652d
update .gitignore
· a5412ce7
tomsko
authored
Jul 08, 2025
a5412ce7
remove unused files
· f96109d0
tomsko
authored
Jul 08, 2025
f96109d0
add configuration for deployment functionality of BAT2
· 98bc13e0
tomsko
authored
Jul 08, 2025
98bc13e0
update requirements to reflect used libraries
· 563d926b
tomsko
authored
Jul 08, 2025
563d926b
add more extensive logging
· 4565b8bd
tomsko
authored
Jul 08, 2025
4565b8bd
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