Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / nostrumbiodiscovery/pele_platform issues and pull requests
#174 - PELE-505 Bugfixes in 1.6b7
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#174 - PELE-505 Bugfixes in 1.6b7
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#173 - Preventing PPP from running twice
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#173 - Preventing PPP from running twice
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#172 - PELE-500 Checker for PELE version and clean-up
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 2 comments
#172 - PELE-500 Checker for PELE version and clean-up
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 2 comments
#171 - PELE-451 Support for conformation perturbtation
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 3 comments
#171 - PELE-451 Support for conformation perturbtation
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 3 comments
#170 - PELEPlatform 1.6.0 beta 7
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 9 comments
#170 - PELEPlatform 1.6.0 beta 7
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 9 comments
#169 - Pele 497 - New flag for pele minimum steps
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
- 1 comment
#169 - Pele 497 - New flag for pele minimum steps
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
- 1 comment
#168 - Changed rotationScalingFactor in induced fit
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#168 - Changed rotationScalingFactor in induced fit
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#167 - Add support for ConformationPerturbation
Pull Request -
State: closed - Opened by cescgina over 3 years ago
- 1 comment
#167 - Add support for ConformationPerturbation
Pull Request -
State: closed - Opened by cescgina over 3 years ago
- 1 comment
#166 - Error claiming missing external template but actually missing OpenFF folder
Issue -
State: closed - Opened by cescgina over 3 years ago
- 1 comment
#165 - PELE-496 SatMut postprocessing bugfix when running equilibration
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#165 - PELE-496 SatMut postprocessing bugfix when running equilibration
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#164 - PELE-495 Bugfix: site_finder randomization and additional test
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#164 - PELE-495 Bugfix: site_finder randomization and additional test
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#163 - PELE-419 Covalent docking
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 5 comments
#163 - PELE-419 Covalent docking
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 5 comments
#162 - PELE-493 Analysis filtering
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#162 - PELE-493 Analysis filtering
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#161 - PELE-492
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#160 - PELE-491
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 1 comment
#160 - PELE-491
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 1 comment
#159 - Fix check_residue_exists
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#159 - Fix check_residue_exists
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#158 - Release of 1.6.0b6
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 1 comment
#158 - Release of 1.6.0b6
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 1 comment
#157 - Pele 490 - New environment variables PELE_EXEC, PELE_DATA and PELE_DOCUMENTS
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
- 2 comments
#157 - Pele 490 - New environment variables PELE_EXEC, PELE_DATA and PELE_DOCUMENTS
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
- 2 comments
#156 - PELE-489 Minor fixes
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 4 comments
#156 - PELE-489 Minor fixes
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 4 comments
#155 - Fix singularity test (adapted to SRUN environment variable)
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#155 - Fix singularity test (adapted to SRUN environment variable)
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#154 - Release of 1.6.0b5
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 10 comments
#154 - Release of 1.6.0b5
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
- 10 comments
#153 - Aqua pele
Pull Request -
State: closed - Opened by hemahecodes over 3 years ago
- 6 comments
#153 - Aqua pele
Pull Request -
State: closed - Opened by hemahecodes over 3 years ago
- 6 comments
#152 - PELE-484 Reimplemented restart flag
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 1 comment
#152 - PELE-484 Reimplemented restart flag
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 1 comment
#151 - Pele 487 - Errors in cluster analysis when residue name starts with a number
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#151 - Pele 487 - Errors in cluster analysis when residue name starts with a number
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#150 - Add equilibration_mode parameter for Adaptive
Pull Request -
State: closed - Opened by cescgina over 3 years ago
#150 - Add equilibration_mode parameter for Adaptive
Pull Request -
State: closed - Opened by cescgina over 3 years ago
#149 - PELE-483 OutIn package clean-up and extra box test
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#149 - PELE-483 OutIn package clean-up and extra box test
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#148 - PELE-482 Raise error when multiple simulation types in YAML
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#148 - PELE-482 Raise error when multiple simulation types in YAML
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#147 - Release of 1.6.0b4
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#147 - Release of 1.6.0b4
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#146 - PELE-481 SatMut output file sorting bugfix
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#146 - PELE-481 SatMut output file sorting bugfix
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#145 - PELE-471 Add enviroment variables for singularity
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#145 - PELE-471 Add enviroment variables for singularity
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#144 - PELE-480 Prevent overwriting *.conf when running only_analysis
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#144 - PELE-480 Prevent overwriting *.conf when running only_analysis
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#143 - PELE-404 Switch from PlopRotTemp to peleffy
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 12 comments
#143 - PELE-404 Switch from PlopRotTemp to peleffy
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 12 comments
#142 - Pele 471 - Flag singularity_exec added
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#142 - Pele 471 - Flag singularity_exec added
Pull Request -
State: closed - Opened by rgago-bio over 3 years ago
#141 - PELE-477 Updates to site_finder clustering, pele.conf and adaptive.conf
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 3 comments
#141 - PELE-477 Updates to site_finder clustering, pele.conf and adaptive.conf
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 3 comments
#140 - PELE-470
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
- 1 comment
#139 - Hot fixes prior beta 3 release
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#139 - Hot fixes prior beta 3 release
Pull Request -
State: closed - Opened by martimunicoy over 3 years ago
#133 - PELE-472 Interaction restriction updates
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#133 - PELE-472 Interaction restriction updates
Pull Request -
State: closed - Opened by frumpowy over 3 years ago
#131 - PELE-466; Frag Refactoring
Pull Request -
State: closed - Opened by hemahecodes over 3 years ago
- 34 comments
#131 - PELE-466; Frag Refactoring
Pull Request -
State: closed - Opened by hemahecodes over 3 years ago
- 34 comments
#111 - Check pdb preprocessing with residues identified as HETATM
Issue -
State: closed - Opened by rgago-bio over 3 years ago
Labels: bug
#111 - Check pdb preprocessing with residues identified as HETATM
Issue -
State: closed - Opened by rgago-bio over 3 years ago
Labels: bug