Related Issues (20)
- Fix number of frames being sub-selected in trajectory cleanup script
- Fix table of contents in docs
- Slack channel #consortium-advisory-board? HOT 2
- industry-benchmarking-layout HOT 5
- Update order of installation instructions
- Fix build warnings when building docs HOT 1
- Point to installation instructions from home page
- Update instructions to point to using conda-lock file with micromamba HOT 1
- Add protonation state check to PR template
- Update instructions for Private: Phase 1
- Write an analysis script
- [docs] Identifying and restarting failed edges HOT 1
- Typos in extract_results script
- restart policy
- Save DG values to file and add plot of DG OpenFE vs FEP+ HOT 1
- Script for fixing broken networks
- Fix (or separate) script for analysing systems when boostrapping fails HOT 1
- Write initial instructions for the private benchmarks
- Private dataset info form
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