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33 Open 42 Closed
33 Open 42 Closed
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Issues list

User Guide review: execution
#178 opened Nov 7, 2024 by atravitz
@atravitz
should we still reference Perses in showcase notebook? documentation Improvements or additions to documentation
#165 opened Oct 9, 2024 by atravitz
1
To commit or not commit notebook output...
#164 opened Oct 9, 2024 by mikemhenry
4
Problems with the tutoria question Further information is requested
#161 opened Sep 22, 2024 by caoyx061
@atravitz
2
Add examples to use multiple GPUs on HPC
#159 opened Sep 9, 2024 by ichxw
1
Remove benchmark_demo notebook?
#154 opened Jul 23, 2024 by IAlibay
Run OpenFE Doc building in this repo
#142 opened May 7, 2024 by mikemhenry
TKY2 Result failure with gather
#141 opened May 2, 2024 by mikemhenry
Slim down results pulled into showcase
#140 opened May 1, 2024 by mikemhenry
Test everything that can be tested
#130 opened Apr 21, 2024 by IAlibay
@mikemhenry
1
Showcase: Cinnabar usage
#114 opened Mar 4, 2024 by richardjgowers
@richardjgowers
Showcase: Include structural analysis section
#113 opened Mar 4, 2024 by richardjgowers
@richardjgowers
Showcase: Include energetics analysis section
#112 opened Mar 4, 2024 by richardjgowers
Showcase: Include data created by execution in notebook repo
#111 opened Mar 4, 2024 by richardjgowers
@mikemhenry
Showcase: Document atom mapping scoring metrics
#107 opened Mar 4, 2024 by richardjgowers
@RiesBen
1
Notebook for RHFEs 1.0docdrive
#93 opened Jan 19, 2024 by IAlibay
Make cookbook materials fetchables
#87 opened Oct 10, 2023 by dwhswenson
py3Dmol widgets not working
#82 opened Sep 1, 2023 by richardjgowers
1
Add Coverage Reports
#80 opened Aug 22, 2023 by mikemhenry
reference data for TYK2 example 1.0docdrive
#76 opened Jul 13, 2023 by wenchangzhou-qtx
1
Mention of OpenFF biopolymer FF is misleading
#74 opened Jun 28, 2023 by IAlibay
Dry run does not return an empty dictionary
#54 opened Apr 28, 2023 by IAlibay
Test easyCampaign
#51 opened Apr 19, 2023 by mikemhenry
3
Add README files to all data clarifying provenance and status
#49 opened Apr 12, 2023 by IAlibay
Update READMEs
#48 opened Apr 12, 2023 by IAlibay
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