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re-order modules from the 'features' subpackage
disc
Discussion needed, to better define the task/s
stale
issue not touched from too much time
add_feature
arguments
covariates
#633
opened Jul 22, 2024 by
DaniBodor
Add single proteins/molecules class
stale
issue not touched from too much time
#605
opened May 21, 2024 by
gcroci2
Provide the trained models for various scenarios.
feature
New feature to add
stale
issue not touched from too much time
#602
opened Mar 22, 2024 by
amjjbonvin
Add example data for antibody-antigen docking models use case
disc
Discussion needed, to better define the task/s
needs info
more information is needed
stale
issue not touched from too much time
Add example data for protein-ligand complexes use case
disc
Discussion needed, to better define the task/s
needs info
more information is needed
stale
issue not touched from too much time
Allow for multiple-chain graphs
blocking
This issue blocks the others
disc
Discussion needed, to better define the task/s
stale
issue not touched from too much time
Consider allowing mixed resolution graphs for protein-ligand graphs
blocked
disc
Discussion needed, to better define the task/s
Allow for none-residue atom entries for protein-ligand graphs
blocking
This issue blocks the others
stale
issue not touched from too much time
Add nucleotides to This issue blocks the others
stale
issue not touched from too much time
aminoacidlist
for protein-nucleic acid graphs
blocking
Make low priority issues
stale
issue not touched from too much time
MapMethod
an attribute of GridSettings
in deeprank2.grid module
nice to have
#516
opened Nov 1, 2023 by
DaniBodor
make low priority issues
stale
issue not touched from too much time
_set_feature_modules
to return ModuleType
objects
nice to have
#512
opened Oct 9, 2023 by
DaniBodor
variant residue is only added to atomic graphs, but not residue graphs
bug
Something isn't working
needs info
more information is needed
stale
issue not touched from too much time
#511
opened Oct 9, 2023 by
DaniBodor
Refactor low priority issues
stale
issue not touched from too much time
deeprank2.tools.target.add_targets
function
nice to have
#499
opened Sep 20, 2023 by
gcroci2
Create feature classes
nice to have
low priority issues
stale
issue not touched from too much time
#486
opened Sep 5, 2023 by
DaniBodor
Bug: No error message when no value calculated for HSE
covariates
modules from the 'features' subpackage
stale
issue not touched from too much time
#402
opened Mar 22, 2023 by
Max1461
Fix usage for multiple GPUs
Trainer
trainer module related issues
#325
opened Jan 20, 2023 by
gcroci2
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