Skip to content

Issues: stfc/aiida-mlip

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

42 Open 67 Closed
42 Open 67 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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
ProTip! no:milestone will show everything without a milestone.