issues
search
OpenFreeEnergy
/
openfe-gromacs
Gromacs-based protocols for Open Free Energy
https://openfe-gromacs.readthedocs.io/en/latest/
MIT License
1
stars
0
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Add support for ProteinComponent
#15
hannahbaumann
closed
1 month ago
1
Review unit conversion with changes in openff-models
#14
hannahbaumann
opened
1 month ago
0
Gromacs Run Unit for the MD protocol
#13
hannahbaumann
closed
1 month ago
2
Write tests for ProtocolUnit
#12
hannahbaumann
closed
1 month ago
0
Write ProtocolUnit to execute Gromacs commands within the MD protocol
#11
hannahbaumann
closed
1 month ago
0
Expose CODECOV_TOKEN in workflow
#10
mikemhenry
closed
3 months ago
1
Write validators for Settings
#9
hannahbaumann
closed
2 months ago
2
Write GromacsMDSetupUnit
#8
hannahbaumann
closed
1 month ago
1
GromacsMDSetupUnit
#7
hannahbaumann
closed
1 month ago
2
[WIP] Settings for Gromacs MD protocol
#6
hannahbaumann
closed
1 month ago
2
Functionality to write out settings to mdp files
#5
hannahbaumann
closed
2 months ago
1
Figure out how to serialize interchange as json
#4
hannahbaumann
opened
4 months ago
1
Create GromacsMDProtocolSettings
#3
hannahbaumann
closed
1 month ago
2
Fix underscore README
#2
hannahbaumann
closed
4 months ago
0
Fix README
#1
hannahbaumann
closed
4 months ago
1
Previous