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Pull requests: haddocking/haddock3
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ordering by size in clustrmsd
enhancement
Enhancing an existing feature of adding a new one
m|clustrmsd
Enhance flexible definition in config files / defaults.yaml
CNS
Improvements in the CNS engine
enhancement
Enhancing an existing feature of adding a new one
m|emref
emref module
m|flexref
flexref module
m|mdref
mdref module
#969
opened Aug 7, 2024 by
amjjbonvin
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4 of 12 tasks
added integration tests for scoring modules
enhancement
Enhancing an existing feature of adding a new one
m|emscoring
Related to emscoring module
m|mdscoring
mdscoring module
#968
opened Aug 6, 2024 by
mgiulini
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4 of 12 tasks
Add logic to check for incompatible parameters
execution
Related to execution modes, such as GRID, HPC, local, etc.
yaml default parameters
Anything related to the YAML configuration files for default parameters
#935
opened Jul 11, 2024 by
rvhonorato
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8 of 12 tasks
Ilrmsd onechain clarified
enhancement
Enhancing an existing feature of adding a new one
m|ilrmsdmatrix
interface-ligand RMSD matrix calculation module
#922
opened Jul 3, 2024 by
mgiulini
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12 tasks
Refactor workflow initialization to remove hard dependency on Enhancing an existing feature of adding a new one
workflow
All the general parts of HADDOCK3 not related to any module in particular
topoaa
enhancement
#921
opened Jul 3, 2024 by
VGPReys
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7 of 12 tasks
adding test to checks for duplicated parameters in defaults.yaml
bug
Something isn't working
enhancement
Enhancing an existing feature of adding a new one
#913
opened Jun 26, 2024 by
VGPReys
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14 of 17 tasks
sasascore module
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
#862
opened Apr 16, 2024 by
mgiulini
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9 of 12 tasks
Add OpenMM module
feature
New feature request
m|openmm
Module to work with OpenMM
#482
opened Jun 20, 2022 by
joaomcteixeira
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ProTip!
Updated in the last three days: updated:>2024-08-15.