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Issues list

Deprecation warnings in pandas enhancement Enhancing an existing feature of adding a new one
#887 opened May 13, 2024 by VGPReys
Improve landing page README
#886 opened May 13, 2024 by VGPReys
50.00% of output was not generated for this module and tolerance was set to 0.00%. community contributions from people outside the haddock team discussions Discussions / Brainstorming
#884 opened May 4, 2024 by Yuanhang2024
10
accessibility based scoring community contributions from people outside the haddock team enhancement Enhancing an existing feature of adding a new one m|accscoring related to accessibility (a posteriori) scoring
#861 opened Apr 16, 2024 by mgiulini
1
@mgiulini
CNS install Error community contributions from people outside the haddock team discussions Discussions / Brainstorming
#860 opened Apr 15, 2024 by abiotik
12
Improve scaling of postprocessing tasks analysis/postprocessing related to the analysis/postprocessing of a haddock3 run enhancement Enhancing an existing feature of adding a new one execution Related to execution modes, such as GRID, HPC, local, etc.
#857 opened Apr 12, 2024 by mgiulini
1
@mgiulini
CNS compilation failed community contributions from people outside the haddock team discussions Discussions / Brainstorming question Further information is requested
#844 opened Apr 6, 2024 by rescuz
1
Documentation for nested parameters has incorrect expertise level
#835 opened Mar 22, 2024 by sverhoeven
1
Z-surface and restraints definition community contributions from people outside the haddock team feature New feature request
#834 opened Mar 22, 2024 by VGPReys
1
@VGPReys
1
add an option to not export modified models in scoring modules enhancement Enhancing an existing feature of adding a new one m|emscoring Related to emscoring module m|mdscoring mdscoring module workflow All the general parts of HADDOCK3 not related to any module in particular
#833 opened Mar 21, 2024 by mgiulini
1
@mgiulini
Add interface-specific scores CNS Improvements in the CNS engine feature New feature request
#800 opened Feb 15, 2024 by amjjbonvin
Add an openMM module enhancement Enhancing an existing feature of adding a new one feature New feature request m|openmm Module to work with OpenMM
#776 opened Jan 5, 2024 by VGPReys
@VGPReys
Waiting time in liphpc should be limited execution Related to execution modes, such as GRID, HPC, local, etc.
#765 opened Dec 21, 2023 by amjjbonvin
@amjjbonvin
Add version number in the log file enhancement Enhancing an existing feature of adding a new one
#679 opened Aug 10, 2023 by amjjbonvin
1
@VGPReys
5
Presenting cluster information in tables and plots analysis/postprocessing related to the analysis/postprocessing of a haddock3 run bug Something isn't working community contributions from people outside the haddock team
#655 opened Jun 2, 2023 by SarahAlidoost
@mgiulini
4
create detailed documentation for haddock3-analyse analysis/postprocessing related to the analysis/postprocessing of a haddock3 run enhancement Enhancing an existing feature of adding a new one
#628 opened Feb 27, 2023 by mgiulini
1
@mgiulini
develop a deeprank analysis module feature New feature request m|deeprank deeprank module
#569 opened Nov 10, 2022 by mgiulini
@mgiulini @ntxxt
1
Add a saxsscore module. feature New feature request m|saxsscore
#433 opened May 16, 2022 by rvhonorato
@cvnoort
3
title/descriptions for expandable parameters feature New feature request yaml default parameters Anything related to the YAML configuration files for default parameters
#370 opened Apr 4, 2022 by sverhoeven
2
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