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Issues list

cdk8 dataset gets unzipped locally when tests are run bug Something isn't working testing
#1134 opened Feb 14, 2025 by atravitz
@atravitz
Create additional test grouping testing
#1133 opened Feb 14, 2025 by atravitz
@atravitz
Move large test datasets out of git repo testing
#1132 opened Feb 14, 2025 by atravitz
@atravitz
fix parallel gather test dataset bug Something isn't working cli command-line interface testing
#1130 opened Feb 14, 2025 by atravitz
1
@atravitz
openfecli tests require nagl bug Something isn't working deployment
#1129 opened Feb 14, 2025 by mikemhenry v1.3.0
@mikemhenry
6
Missing files in manifest bug Something isn't working deployment
#1128 opened Feb 14, 2025 by mikemhenry v1.3.0
@mikemhenry
2
Order of tutorials
#1127 opened Feb 13, 2025 by mikemhenry
1
[ omm-restraints] NoJump failure
#1126 opened Feb 13, 2025 by hannahbaumann
@IAlibay
11
Remove large files from git history
#1122 opened Feb 11, 2025 by IAlibay
CI test against gufe main *and* latest
#1113 opened Jan 31, 2025 by atravitz
improve gather -raw failed edges handling
#1111 opened Jan 30, 2025 by atravitz v1.y.0 CLI updates
@atravitz
improve gather's ddg output handling
#1110 opened Jan 30, 2025 by atravitz v1.y.0 CLI updates
@atravitz
improve gather's dg error handling
#1109 opened Jan 30, 2025 by atravitz v1.y.0 CLI updates
@atravitz
fix docker build CI runner
#1105 opened Jan 30, 2025 by atravitz
@mikemhenry @atravitz
1
gather - check json files
#1104 opened Jan 30, 2025 by atravitz v1.x.0 CLI updates
@jthorton @atravitz
Using SAMS fails on analysis step get_forward_and_reverse_analysis due to unequal sample counts
#1102 opened Jan 28, 2025 by nffaruk
5
OpenFE v1.3 release
#1100 opened Jan 27, 2025 by IAlibay v1.4.0
@atravitz
Boresch host search tests
#1099 opened Jan 27, 2025 by IAlibay
@IAlibay
Boresch guest search tests
#1098 opened Jan 27, 2025 by IAlibay
@IAlibay
DSSP filtering tests
#1097 opened Jan 27, 2025 by IAlibay
@IAlibay
Restraint geometry utils tests
#1096 opened Jan 27, 2025 by IAlibay
@IAlibay
KeyError when removing constraints from mapping
#1093 opened Jan 24, 2025 by jthorton
openmm in container openfe does not work with gpus
#1091 opened Jan 24, 2025 by TakumiHirao
@atravitz
5
Add DSSP filtering to Boresch restraint finding
#1087 opened Jan 22, 2025 by IAlibay
@IAlibay
Verify protonation states after system building
#1084 opened Jan 20, 2025 by IAlibay
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