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42 Open 67 Closed
42 Open 67 Closed
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Issues list

Add training/fine tuning WorkGraph enhancement New/improved feature or request
#173 opened Nov 29, 2024 by ElliottKasoar
Add WorkGraph with linked tasks enhancement New/improved feature or request
#172 opened Nov 29, 2024 by ElliottKasoar
Train ML models predicting properties
#171 opened Nov 29, 2024 by epatyukova
1
Use __future__.annotations enhancement New/improved feature or request
#170 opened Nov 22, 2024 by ElliottKasoar
Update pytest fixtures testing Unit testing or CI
#166 opened Nov 20, 2024 by ElliottKasoar
1
Refactor/tidy shared code enhancement New/improved feature or request
#164 opened Nov 19, 2024 by ElliottKasoar
Update docs documentation Improvements or additions to documentation
#156 opened Oct 16, 2024 by ElliottKasoar
2 of 8 tasks
1
handle errors from the calculations, can the training go on even if some calculations fail? enhancement New/improved feature or request
#155 opened Jul 31, 2024 by federicazanca
1
tests for workgraphs help wanted Extra attention is needed
#154 opened Jul 31, 2024 by federicazanca
Replace opt_kwargs with minimize_kwargs bug Something isn't working
#152 opened Jul 18, 2024 by federicazanca
Remove filepath and useless functions in configfile bug Something isn't working
#151 opened Jul 10, 2024 by federicazanca
add training workchain enhancement New/improved feature or request
#148 opened Jul 5, 2024 by federicazanca
3 of 10 tasks
1
@federicazanca
add high-throughput screening workchain
#146 opened Jul 5, 2024 by federicazanca
2 tasks
Model check in config file bug Something isn't working
#143 opened Jun 12, 2024 by federicazanca
@federicazanca
add tests for train parser
#133 opened May 30, 2024 by federicazanca
@federicazanca
make common pattern a function
#126 opened May 20, 2024 by federicazanca
change yaml to yml for consistency
#125 opened May 20, 2024 by federicazanca
@federicazanca
Incorrect help for janus config file input documentation Improvements or additions to documentation
#124 opened May 16, 2024 by ElliottKasoar
implement a proper cli
#122 opened May 13, 2024 by federicazanca
4 tasks
@federicazanca
change default inputs bug Something isn't working
#114 opened Apr 23, 2024 by federicazanca
@federicazanca
1
cached_property for file data
#113 opened Apr 19, 2024 by federicazanca
Decide how much technical info should go in the user guide
#112 opened Apr 19, 2024 by federicazanca
Rename CLI options
#110 opened Apr 12, 2024 by ElliottKasoar
config file to aiida
#108 opened Apr 11, 2024 by federicazanca
4
get_builder
#106 opened Apr 10, 2024 by federicazanca
2
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