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Fix issue #469 Pull-Request #431: Pull request #470 synchronize by lohedges
2h 8m 5s fix_469
fix_469
2h 8m 5s
Fix issues with multi-molecule REST2 selections Pull-Request #428: Pull request #467 synchronize by lohedges
2h 6m 48s fix_somd2_197
fix_somd2_197
2h 6m 48s
Fix issues with multi-molecule REST2 selections Pull-Request #427: Pull request #467 opened by lohedges
29m 51s fix_somd2_197
fix_somd2_197
29m 51s
Add determine_bond_orders kwarg to Sire-RDKit conversion function. Pull-Request #426: Pull request #465 opened by lohedges
2h 10m 43s fix_464
fix_464
2h 10m 43s
Fix issue #457 Pull-Request #425: Pull request #461 synchronize by lohedges
2h 15m 9s fix_457
fix_457
2h 15m 9s
Fix issue #457 Pull-Request #424: Pull request #461 opened by lohedges
2h 7m 18s fix_457
fix_457
2h 7m 18s
Reimplement lazy importing using importlib Pull-Request #423: Pull request #459 synchronize by lohedges
1h 57m 41s fix_biosimspace_545
fix_biosimspace_545
1h 57m 41s
Allow a dynamics object to propagate several independent trajectories Pull-Request #418: Pull request #458 opened by lohedges
2h 11m 14s feature_dynamics_cache
feature_dynamics_cache
2h 11m 14s
Add restricted angle bending for Boresch restraint and automated restraint search Pull-Request #417: Pull request #456 synchronize by lohedges
2h 23m 36s feature_restricted_bending
feature_restricted_bending
2h 23m 36s
Add restricted angle bending for Boresch restraint and automated restraint search Pull-Request #415: Pull request #456 opened by lohedges
1h 58m 12s feature_restricted_bending
feature_restricted_bending
1h 58m 12s
Fix issue #453 Pull-Request #414: Pull request #454 opened by lohedges
2h 3m 10s fix_453
fix_453
2h 3m 10s
Release 2026.1.0 Pull-Request #413: Pull request #451 opened by lohedges
1h 56m 17s release_2026.1.0
release_2026.1.0
1h 56m 17s
Fix issue #447 Pull-Request #412: Pull request #448 synchronize by lohedges
2h 5m 45s fix_447
fix_447
2h 5m 45s
Fix issue #447 Pull-Request #411: Pull request #448 synchronize by lohedges
6m 37s fix_447
fix_447
6m 37s
Fix issue #447 Pull-Request #409: Pull request #448 synchronize by lohedges
1h 58m 35s fix_447
fix_447
1h 58m 35s
Fix issue #447 Pull-Request #408: Pull request #448 synchronize by lohedges
2h 7m 4s fix_447
fix_447
2h 7m 4s
Fix issue #447 Pull-Request #407: Pull request #448 synchronize by lohedges
2h 15m 25s fix_447
fix_447
2h 15m 25s
Fix issue #447 Pull-Request #406: Pull request #448 synchronize by lohedges
1h 57m 37s fix_447
fix_447
1h 57m 37s
Add softcore ring-breaking nonbonded force Pull-Request #400: Pull request #442 synchronize by lohedges
57m 30s feature_ring_break_softcore
feature_ring_break_softcore
57m 30s
Add softcore ring-breaking nonbonded force Pull-Request #399: Pull request #442 opened by lohedges
2h 6m 17s feature_ring_break_softcore
feature_ring_break_softcore
2h 6m 17s
Add support for using a switching function with QM/MM Pull-Request #397: Pull request #441 opened by lohedges
2h 5m 22s feature_switching_function
feature_switching_function
2h 5m 22s
Add long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #396: Pull request #440 synchronize by lohedges
2h 17m 47s feature_lrc
feature_lrc
2h 17m 47s
Add long-range dispersion correction, Beutler soft-core, and LambdaSchedule.reverse() Pull-Request #395: Pull request #440 opened by lohedges
1h 35m 34s feature_lrc
feature_lrc
1h 35m 34s
Add support for weighting lambda schedule stages Pull-Request #394: Pull request #439 synchronize by lohedges
2h 25m 30s feature_stage_weights
feature_stage_weights
2h 25m 30s
Add support for weighting lambda schedule stages Pull-Request #393: Pull request #439 opened by lohedges
2h 14m 17s feature_stage_weights
feature_stage_weights
2h 14m 17s