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adds LigandNetwork.reduce_graph
cleanup caches by a branch #100: Pull request #320 closed by dotsdl
January 2, 2025 18:46 17s LigandNetwork_delete_edges
January 2, 2025 18:46 17s
Globally set RDKit to include all properties when pickling an RDKit Mol
cleanup caches by a branch #99: Pull request #344 closed by dotsdl
December 18, 2024 02:37 18s bugfix/rdkit-mol-pickle
December 18, 2024 02:37 18s
Added zstandard compression tooling, added to bytes codec for JSON serialization
cleanup caches by a branch #98: Pull request #438 closed by atravitz
December 17, 2024 22:50 23s zst-bytes-compression
December 17, 2024 22:50 23s
Remove PR trigger from conda_cron
cleanup caches by a branch #97: Pull request #447 closed by mikemhenry
December 10, 2024 15:09 15s conda-cron-fix
December 10, 2024 15:09 15s
Make Transformation and NonTransformation subclass TransformationBase
cleanup caches by a branch #96: Pull request #311 closed by dotsdl
December 10, 2024 05:44 14s transformation-base-class
December 10, 2024 05:44 14s
ignore another big auto format
cleanup caches by a branch #95: Pull request #437 closed by mikemhenry
December 6, 2024 15:02 18s maint/update-ignored-commits
December 6, 2024 15:02 18s
Save atom hybridization
cleanup caches by a branch #93: Pull request #408 closed by IAlibay
December 4, 2024 11:07 15s atom_hybridization
December 4, 2024 11:07 15s
run pre-commit on empty pr
cleanup caches by a branch #92: Pull request #431 closed by mikemhenry
December 2, 2024 21:23 13s fix/run_pre-commit
December 2, 2024 21:23 13s
switch from macos-12 pin to macos-latest
cleanup caches by a branch #90: Pull request #424 closed by atravitz
November 25, 2024 21:43 18s remove_macos12_support
November 25, 2024 21:43 18s
Add pre-commit.ci
cleanup caches by a branch #89: Pull request #384 closed by mikemhenry
November 22, 2024 19:02 13s feat/add-pre-commit-ci
November 22, 2024 19:02 13s
auto format all the things
cleanup caches by a branch #88: Pull request #421 closed by mikemhenry
November 22, 2024 18:52 1m 6s auto-format
November 22, 2024 18:52 1m 6s
Fixing the conda cron
cleanup caches by a branch #86: Pull request #398 closed by atravitz
November 15, 2024 15:19 20s fix-cron
November 15, 2024 15:19 20s
Test new openff-models w/ pydantic v2
cleanup caches by a branch #85: Pull request #336 closed by IAlibay
November 12, 2024 14:25 16s off-models-tests
November 12, 2024 14:25 16s
Release : v1.1.0
cleanup caches by a branch #83: Pull request #389 closed by dotsdl
November 7, 2024 21:50 12s release-prep-1.1.0
November 7, 2024 21:50 12s
Backfill the news items for v1.1.0
cleanup caches by a branch #82: Pull request #386 closed by dotsdl
November 7, 2024 20:34 17s add_news_1.1
November 7, 2024 20:34 17s
Save edge annotations in LigandNetwork.to_graphml
cleanup caches by a branch #81: Pull request #369 closed by IAlibay
November 5, 2024 19:37 14s graphml_annotations
November 5, 2024 19:37 14s
Removed all hardcoded gufe keys from GufeTokenizable tests in test suite
cleanup caches by a branch #80: Pull request #374 closed by dotsdl
November 1, 2024 10:06 14s remove-testsuite-keys
November 1, 2024 10:06 14s
JSON serialization on GufeTokenizable
cleanup caches by a branch #79: Pull request #368 closed by jthorton
October 31, 2024 09:26 12s serialization
October 31, 2024 09:26 12s
Add to/from keyed chain methods to GufeTokenizable
cleanup caches by a branch #77: Pull request #367 closed by dotsdl
October 29, 2024 15:25 16s to_keyed_chain
October 29, 2024 15:25 16s
Proposed fix to dag ordering
cleanup caches by a branch #76: Pull request #315 closed by ianmkenney
October 28, 2024 16:46 15s LilDojd:main
October 28, 2024 16:46 15s