Related Issues (20)
- Add conda canary
- Remove openmmforcefields 13 gaff test code branches
- `openfe.analysis.plotting.plot_2D_rmsd` does not work for fewer than 5 states
- Mypy fails
- Add support for GPU runners
- 2D RMSD plots are unreadable at high replica counts HOT 2
- 2D RMSD plots leave empty axes when state count is non-divisible by 4
- Cron CI is failing due to timeout
- Add setting indicating simulation is a vacuum state
- Check Network test
- Konnektor - Integration
- [meta] Membrane support in OpenFE Protocols HOT 2
- Docs are not building HOT 2
- Add nvidia-smi step to GPU runners HOT 5
- supporting OpenMM-ML HOT 3
- [docs] we should point out some example(s) on how to read out the trajectories from our output files HOT 1
- https://github.com/conda-forge/cinnabar-feedstock/issues/6
- Capture standard out and standard error (as well as other logs)
- Document supported version of key software
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