Commits · aec1d47e570e5071df57467b5f7be374141cd669 · Tomáš Pavlík / BAT2 · GitLab

Jul 08, 2025
- 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