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Seed simulation from least strained restraint search structure. Release Devel #99: Commit 196237b pushed by lohedges
8m 34s devel
devel
8m 34s
Merge pull request #172 from OpenBioSim/fix_171 Release Devel #98: Commit 7eaab50 pushed by lohedges
8m 43s devel
devel
8m 43s
Fix issue #171 Pull-Request #86: Pull request #172 opened by lohedges
7m 53s fix_171
fix_171
7m 53s
Merge pull request #169 from OpenBioSim/fix_168 Release Devel #97: Commit df7ae19 pushed by lohedges
8m 6s devel
devel
8m 6s
Fix issue #168 Pull-Request #85: Pull request #169 opened by lohedges
8m 41s fix_168
fix_168
8m 41s
Merge pull request #166 from OpenBioSim/feature_abfe_restraints Release Devel #96: Commit 4bf583b pushed by lohedges
8m 54s devel
devel
8m 54s
Add support for autogenerating ABFE restraints Pull-Request #84: Pull request #166 opened by lohedges
8m 57s feature_abfe_restraints
feature_abfe_restraints
8m 57s
Add note regarding PyMBAR JAX issues. Release Devel #95: Commit e5c79f4 pushed by lohedges
8m 35s devel
devel
8m 35s
Release Main Release Main #373: Manually run by lohedges
8m 49s main
main
8m 49s
Release 2026.1.0 Pull-Request #83: Pull request #164 opened by lohedges
8m 51s release_2026.1.0
release_2026.1.0
8m 51s
Pin ring-break/make alpha=1, kappa=0 in potential_swap as explicit co… Release Devel #94: Commit e5fee26 pushed by lohedges
9m 34s devel
devel
9m 34s
Merge pull request #163 from OpenBioSim/fix_water_topology Release Devel #93: Commit 361128e pushed by lohedges
8m 5s devel
devel
8m 5s
Apply setAmberWater unconditionally to ensure fully rigid water constraints Pull-Request #82: Pull request #163 opened by lohedges
7m 56s fix_water_topology
fix_water_topology
7m 56s
Merge pull request #160 from OpenBioSim/fix_alchemical_epsilon Release Devel #92: Commit fdad810 pushed by lohedges
8m 34s devel
devel
8m 34s
Add option to control epsilon scaling for Beutler soft-core Pull-Request #81: Pull request #160 opened by lohedges
7m 45s fix_alchemical_epsilon
fix_alchemical_epsilon
7m 45s
Merge pull request #159 from OpenBioSim/feature_ring_break_terminal_flip Release Devel #91: Commit 57267f9 pushed by lohedges
8m 25s devel
devel
8m 25s
Add support for terminal flip MC during ring-break perturbations Pull-Request #80: Pull request #159 opened by lohedges
8m 6s feature_ring_break_terminal_flip
feature_ring_break_terminal_flip
8m 6s
Improve dependency version reporting. Release Devel #90: Commit b1f141c pushed by lohedges
8m 50s devel
devel
8m 50s
Defer output directory/logger setup from Config to Runner init. Release Devel #89: Commit 64ebaff pushed by lohedges
8m 29s devel
devel
8m 29s
Adjust h_mass_factor limit. Release Devel #88: Commit 433c382 pushed by lohedges
9m 17s devel
devel
9m 17s
Update docstring. Release Devel #87: Commit a6ceed9 pushed by lohedges
9m 0s devel
devel
9m 0s
Raise exception when h_mass_factor limit is exceeded. Release Devel #86: Commit cb2761c pushed by lohedges
8m 58s devel
devel
8m 58s
Merge pull request #158 from OpenBioSim/fix_ring_break_schedule Release Devel #85: Commit a74fd2e pushed by lohedges
8m 15s devel
devel
8m 15s
Switch to reversible three-stage ring-breaking schedule Pull-Request #79: Pull request #158 opened by lohedges
8m 46s fix_ring_break_schedule
fix_ring_break_schedule
8m 46s
Merge pull request #157 from OpenBioSim/fix_156 Release Devel #84: Commit 73a9c33 pushed by lohedges
9m 19s devel
devel
9m 19s