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Added a module for working with RMG reaction families
Labeler #1566: Pull request #754 synchronize by alongd
December 21, 2024 20:09 11s reaction_families
December 21, 2024 20:09 11s
Added a module for working with RMG reaction families
Labeler #1565: Pull request #754 synchronize by alongd
December 21, 2024 10:42 10s reaction_families
December 21, 2024 10:42 10s
Added a module for working with RMG reaction families
Labeler #1564: Pull request #754 synchronize by alongd
December 20, 2024 12:15 16s reaction_families
December 20, 2024 12:15 16s
Added a module for working with RMG reaction families
Labeler #1563: Pull request #754 synchronize by alongd
December 15, 2024 07:40 15s reaction_families
December 15, 2024 07:40 15s
Define set_rdkit_ring_dihedrals and make test
Labeler #1562: Pull request #767 synchronize by JintaoWu98
December 9, 2024 23:53 18s ring_transform
December 9, 2024 23:53 18s
Define set_rdkit_ring_dihedrals and make test
Labeler #1561: Pull request #767 synchronize by JintaoWu98
December 8, 2024 07:46 12s ring_transform
December 8, 2024 07:46 12s
Define set_rdkit_ring_dihedrals and make test
Labeler #1560: Pull request #767 synchronize by JintaoWu98
December 8, 2024 03:39 11s ring_transform
December 8, 2024 03:39 11s
Added a module for working with RMG reaction families
Labeler #1559: Pull request #754 synchronize by alongd
December 7, 2024 22:18 11s reaction_families
December 7, 2024 22:18 11s
Triplet S2 perception
Labeler #1558: Pull request #778 synchronize by alongd
December 7, 2024 19:07 12s alongd:S2_per
December 7, 2024 19:07 12s
Triplet S2 perception
Labeler #1557: Pull request #778 opened by alongd
December 7, 2024 19:05 14s alongd:S2_per
December 7, 2024 19:05 14s
Added a module for working with RMG reaction families
Labeler #1556: Pull request #754 synchronize by alongd
December 7, 2024 18:10 17s reaction_families
December 7, 2024 18:10 17s
Added a module for working with RMG reaction families
Labeler #1555: Pull request #754 synchronize by alongd
December 7, 2024 17:34 11s reaction_families
December 7, 2024 17:34 11s
Added a module for working with RMG reaction families
Labeler #1554: Pull request #754 synchronize by alongd
December 7, 2024 17:33 15s reaction_families
December 7, 2024 17:33 15s
Adapt parse_nd_scan_energies() to a slightly different Gaussian 2D scan format
Labeler #1553: Pull request #777 opened by alongd
December 6, 2024 06:44 15s 2dsfix
December 6, 2024 06:44 15s
patch/pr-711-name-format
Labeler #1552: Pull request #776 opened by JintaoWu98
December 1, 2024 23:59 10s patch/pr-766
December 1, 2024 23:59 10s
Conf opt docs
Labeler #1551: Pull request #771 synchronize by kfir4444
November 21, 2024 10:58 13s conf_opt_docs
November 21, 2024 10:58 13s
mamba to conda
Labeler #1550: Pull request #775 opened by kfir4444
November 21, 2024 07:18 10s fix_cache
November 21, 2024 07:18 10s
fix minoforge issue in cache job
Labeler #1549: Pull request #774 opened by kfir4444
November 20, 2024 19:51 14s fix_cache
November 20, 2024 19:51 14s
Conf opt docs
Labeler #1548: Pull request #771 synchronize by kfir4444
November 20, 2024 16:56 11s conf_opt_docs
November 20, 2024 16:56 11s
Fix the normal mode displacement TS check
Labeler #1547: Pull request #768 synchronize by alongd
November 20, 2024 15:01 15s nmd
nmd
November 20, 2024 15:01 15s
Conf opt docs
Labeler #1546: Pull request #771 synchronize by kfir4444
November 20, 2024 14:48 10s conf_opt_docs
November 20, 2024 14:48 10s
Docs
Labeler #1545: Pull request #772 synchronize by kfir4444
November 20, 2024 14:44 19s docs
November 20, 2024 14:44 19s
Docs
Labeler #1544: Pull request #772 synchronize by kfir4444
November 20, 2024 12:16 12s docs
November 20, 2024 12:16 12s
Miniforge releases will NOT build Mambaforge
Labeler #1543: Pull request #773 synchronize by kfir4444
November 20, 2024 09:16 12s ci_fail
November 20, 2024 09:16 12s
Miniforge releases will NOT build Mambaforge
Labeler #1542: Pull request #773 synchronize by kfir4444
November 20, 2024 08:56 14s ci_fail
November 20, 2024 08:56 14s