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Commits · 563d926bfe18ad51f98c4014716d547389f6bddd
bat2
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Jul 08, 2025
update requirements to reflect used libraries
· 563d926b
tomsko
authored
Jul 08, 2025
563d926b
add more extensive logging
· 4565b8bd
tomsko
authored
Jul 08, 2025
4565b8bd
add more extensive logging
· c108045a
tomsko
authored
Jul 08, 2025
c108045a
add functionality for storing task UUID
· 5a6a2d97
tomsko
authored
Jul 08, 2025
5a6a2d97
add support for temporary file logging
· 6c258823
tomsko
authored
Jul 08, 2025
6c258823
update source of ResultsFile
· 70bb5168
tomsko
authored
Jul 08, 2025
70bb5168
remove vmd visualization generation
· 5bcc259b
tomsko
authored
Jul 08, 2025
5bcc259b
fix water metadata fetching
· 99440878
tomsko
authored
Jul 08, 2025
99440878
add more extensive logging
· 04d2ec58
tomsko
authored
Jul 08, 2025
04d2ec58
update interface headers
· 211cb609
tomsko
authored
Jul 08, 2025
211cb609
add support for local working directory
· 53ec7064
tomsko
authored
Jul 08, 2025
53ec7064
add support for local working directory
· aec1d47e
tomsko
authored
Jul 08, 2025
aec1d47e
add support for api access to generated pdb file (without need to upload over ssh)
· 5ba0a03f
tomsko
authored
Jul 08, 2025
5ba0a03f
add extensive logging information
· deef122d
tomsko
authored
Jul 08, 2025
deef122d
add support for creating temporary file logs
· f822bf00
tomsko
authored
Jul 08, 2025
f822bf00
update print of time to work with lower python versions
· ea54748b
tomsko
authored
Jul 08, 2025
ea54748b
Jul 06, 2025
add suport to export simulations in MOL*
· 952b2ee9
tomsko
authored
Jul 06, 2025
952b2ee9
Jun 23, 2025
upload databases, update to signature generators, identifiers, and api endpoint
· 4725b3a6
tomsko
authored
Jun 23, 2025
4725b3a6
Feb 21, 2025
modify core executor for being able to process queue without need of queueing...
· b7d39632
Tomas Pavlik
authored
Feb 21, 2025
b7d39632
initial v2
· a8ca9236
Tomas Pavlik
authored
Feb 21, 2025
a8ca9236
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