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17 Open 472 Closed
17 Open 472 Closed
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Issues list

remove tox references and update README documentation Improve docs enhancement Enhancing an existing feature of adding a new one
#1157 opened Nov 25, 2024 by mgiulini
1
@mgiulini
OpenMM Module- "Exception in task execution: 'NoneType' object is not iterable" bug Something isn't working
#1153 opened Nov 19, 2024 by atroel01
@VGPReys
1
mdmdscoring error question Further information is requested
#1147 opened Nov 15, 2024 by bestz123
11
Updating OpenMM module to fit v8.2.0 enhancement Enhancing an existing feature of adding a new one m|openmm Module to work with OpenMM
#1144 opened Nov 14, 2024 by VGPReys
@VGPReys
pdb file error bug Something isn't working community contributions from people outside the haddock team
#1140 opened Nov 13, 2024 by Zhangjyfree
1
[caprieval] with ensemble as reference bug Something isn't working community contributions from people outside the haddock team m|caprieval Improvements in caprieval module
#1132 opened Nov 6, 2024 by VGPReys
@VGPReys
4
Fine tuning for web-app purposes enhancement Enhancing an existing feature of adding a new one
#1116 opened Oct 25, 2024 by VGPReys
@VGPReys
Add OpenMM to the Dockerfile CI / repository Continuous integration or repository organization enhancement Enhancing an existing feature of adding a new one
#1115 opened Oct 24, 2024 by rvhonorato
3
cns is linked to extra libs bug Something isn't working CNS Improvements in the CNS engine
#1114 opened Oct 22, 2024 by sverhoeven
@amjjbonvin
6
Add can_fail property to BaseHaddockModule enhancement Enhancing an existing feature of adding a new one workflow All the general parts of HADDOCK3 not related to any module in particular
#1107 opened Oct 17, 2024 by rvhonorato
@rvhonorato
[attract] as a sampling module feature New feature request m|attract
#1027 opened Sep 16, 2024 by AnnaKravchenko
1
@AnnaKravchenko
Add modules that could add/delete molecules within a workflow enhancement Enhancing an existing feature of adding a new one workflow All the general parts of HADDOCK3 not related to any module in particular
#992 opened Sep 2, 2024 by amjjbonvin
@VGPReys
2
Don't split tasks in the modules enhancement Enhancing an existing feature of adding a new one execution Related to execution modes, such as GRID, HPC, local, etc.
#970 opened Aug 8, 2024 by rvhonorato
@rvhonorato
1
Remove restraints CLIs enhancement Enhancing an existing feature of adding a new one
#959 opened Aug 1, 2024 by rvhonorato
@rvhonorato
8
haddock3 workflow without starting with topoaa execution Related to execution modes, such as GRID, HPC, local, etc.
#932 opened Jul 10, 2024 by VGPReys
1
@VGPReys
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
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