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Add a native Python incremental file reader utility Pull-Request #413: Pull request #554 opened by lohedges
33m 52s feature_tail
feature_tail
33m 52s
Release 2026.2.0 Pull-Request #412: Pull request #553 opened by lohedges
38m 54s release_2026.2.0
release_2026.2.0
38m 54s
Add functionality for parsing CMAP energy records Pull-Request #411: Pull request #552 opened by lohedges
39m 15s feature_cmap_energy_parsing
feature_cmap_energy_parsing
39m 15s
Add determine_bond_orders kwarg to RDKit conversion function Pull-Request #410: Pull request #550 opened by lohedges
40m 41s fix_sire_464
fix_sire_464
40m 41s
Fix issue #547 Pull-Request #409: Pull request #548 opened by lohedges
29m 50s fix_547
fix_547
29m 50s
Fix issue #545 Pull-Request #408: Pull request #546 opened by lohedges
40m 41s fix_545
fix_545
40m 41s
Feature mapping diagnostic Pull-Request #407: Pull request #544 opened by lohedges
39m 43s feature_mapping_diagnostic
feature_mapping_diagnostic
39m 43s
Improve ring-break merge detection and expose RDKit MCS kwargs Pull-Request #406: Pull request #542 opened by lohedges
39m 15s fix_ring_break_merge
fix_ring_break_merge
39m 15s
Fix issue #539 Pull-Request #405: Pull request #540 synchronize by lohedges
38m 23s fix_539
fix_539
38m 23s
Fix issue #539 Pull-Request #404: Pull request #540 opened by lohedges
2m 3s fix_539
fix_539
2m 3s
Fix issue #536 Pull-Request #403: Pull request #537 opened by lohedges
26m 53s fix_536
fix_536
26m 53s
Release 2026.1.0 Pull-Request #402: Pull request #525 opened by lohedges
38m 49s release_2026.1.0
release_2026.1.0
38m 49s
Feature custom roi maps Pull-Request #401: Pull request #522 synchronize by akalpokas
38m 35s akalpokas:feature_custom_ROI_maps
akalpokas:feature_custom_ROI_maps
38m 35s
Feature custom roi maps Pull-Request #400: Pull request #522 synchronize by akalpokas
37m 43s akalpokas:feature_custom_ROI_maps
akalpokas:feature_custom_ROI_maps
37m 43s
Feature custom roi maps Pull-Request #399: Pull request #522 synchronize by akalpokas
39m 3s akalpokas:feature_custom_ROI_maps
akalpokas:feature_custom_ROI_maps
39m 3s
Fix issue #523 Pull-Request #398: Pull request #524 synchronize by lohedges
38m 31s fix_523
fix_523
38m 31s
Fix issue #523 Pull-Request #397: Pull request #524 synchronize by lohedges
37m 56s fix_523
fix_523
37m 56s
Fix issue #523 Pull-Request #396: Pull request #524 synchronize by lohedges
31m 45s fix_523
fix_523
31m 45s
Fix issue #523 Pull-Request #395: Pull request #524 synchronize by lohedges
39m 0s fix_523
fix_523
39m 0s
Fix issue #523 Pull-Request #394: Pull request #524 synchronize by lohedges
39m 44s fix_523
fix_523
39m 44s
Feature custom roi maps Pull-Request #392: Pull request #522 opened by akalpokas
38m 17s akalpokas:feature_custom_ROI_maps
akalpokas:feature_custom_ROI_maps
38m 17s
Fix issue #519 Pull-Request #391: Pull request #520 opened by lohedges
39m 46s fix_519
fix_519
39m 46s
Add ring-breaking/making info during merge and add support for adding ions to an existing system Pull-Request #390: Pull request #518 opened by lohedges
39m 39s feature_ring_break_softcore
feature_ring_break_softcore
39m 39s
Remove cross-bond terms for ring-making/breaking perturbations Pull-Request #389: Pull request #517 opened by lohedges
38m 58s fix_ring_break_merge
fix_ring_break_merge
38m 58s
Add regression test for ring-breaking intrascale fix Pull-Request #387: Pull request #513 opened by lohedges
37m 20s fix_intrascale_merge
fix_intrascale_merge
37m 20s