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testing.yml
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Add inchi sanity check Testing #47: Pull request #45 synchronize by maabuu
August 13, 2024 07:51 3m 47s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:51 3m 47s
Add inchi sanity check Testing #46: Pull request #45 synchronize by maabuu
August 13, 2024 07:44 4m 1s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:44 4m 1s
Add inchi sanity check Testing #45: Pull request #45 synchronize by maabuu
August 13, 2024 07:16 4m 28s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:16 4m 28s
Add inchi sanity check Testing #44: Pull request #45 synchronize by maabuu
August 12, 2024 17:07 4m 8s energy_ratio_fails
energy_ratio_fails
August 12, 2024 17:07 4m 8s
Add inchi sanity check Testing #43: Pull request #45 opened by maabuu
August 12, 2024 17:02 3m 50s energy_ratio_fails
energy_ratio_fails
August 12, 2024 17:02 3m 50s
Clip SuCOS score Testing #42: Pull request #43 opened by maabuu
July 10, 2024 12:44 4m 28s clip_sucos
clip_sucos
July 10, 2024 12:44 4m 28s
Bug fix SuCOS score Testing #41: Pull request #42 opened by maabuu
July 10, 2024 11:25 4m 45s color_and_shape
color_and_shape
July 10, 2024 11:25 4m 45s
Fix mol objects bug Testing #40: Pull request #40 opened by maabuu
June 10, 2024 11:07 4m 17s pass_mol_objects
pass_mol_objects
June 10, 2024 11:07 4m 17s
Add timeout decorator to RMSD calculations to prevent occasional process deadlocks Testing #39: Pull request #39 opened by amorehead
June 3, 2024 02:13 1m 10s amorehead:rmsd-timeout
amorehead:rmsd-timeout
June 3, 2024 02:13 1m 10s
Support mol2 files as ground truth Testing #38: Pull request #37 synchronize by maabuu
May 22, 2024 09:51 4m 21s mol2_ground_truth
mol2_ground_truth
May 22, 2024 09:51 4m 21s
Support mol2 files as ground truth Testing #37: Pull request #37 synchronize by maabuu
May 22, 2024 08:18 4m 25s mol2_ground_truth
mol2_ground_truth
May 22, 2024 08:18 4m 25s
Support mol2 files as ground truth Testing #36: Pull request #37 synchronize by maabuu
May 21, 2024 21:32 4m 1s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:32 4m 1s
Support mol2 files as ground truth Testing #35: Pull request #37 synchronize by maabuu
May 21, 2024 21:28 4m 22s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:28 4m 22s
Support mol2 files as ground truth Testing #34: Pull request #37 opened by maabuu
May 21, 2024 21:25 37s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:25 37s
Fix numbering bug Testing #33: Pull request #33 opened by maabuu
March 19, 2024 15:38 4m 5s fix_numbering_bug
fix_numbering_bug
March 19, 2024 15:38 4m 5s
Fix return atom indexes of clashes Testing #32: Pull request #32 opened by Endyff
March 19, 2024 13:21 5m 37s Endyff:distance_geometry_indexing_fix
Endyff:distance_geometry_indexing_fix
March 19, 2024 13:21 5m 37s
Energy ratio bug Testing #31: Pull request #30 opened by maabuu
March 15, 2024 10:06 3m 57s energy_ratio_bug
energy_ratio_bug
March 15, 2024 10:06 3m 57s
Catch divide-by-zero error in energy_ratio.py Testing #30: Pull request #29 synchronize by amorehead
March 14, 2024 00:48 3m 42s amorehead:patch-1
amorehead:patch-1
March 14, 2024 00:48 3m 42s
Testing molecule generation models Testing #27: Pull request #25 synchronize by maabuu
February 20, 2024 14:23 4m 21s sucos
sucos
February 20, 2024 14:23 4m 21s
Testing molecule generation models Testing #26: Pull request #25 synchronize by maabuu
February 20, 2024 14:20 2m 1s sucos
sucos
February 20, 2024 14:20 2m 1s
Testing molecule generation models Testing #25: Pull request #25 opened by maabuu
February 20, 2024 14:14 1m 1s sucos
sucos
February 20, 2024 14:14 1m 1s
Update dev tools Testing #24: Pull request #24 synchronize by maabuu
February 20, 2024 11:08 3m 58s update-tools
update-tools
February 20, 2024 11:08 3m 58s
Update dev tools Testing #23: Pull request #24 opened by maabuu
February 20, 2024 10:41 4m 0s update-tools
update-tools
February 20, 2024 10:41 4m 0s
Fix output bug Testing #22: Pull request #22 synchronize by maabuu
December 8, 2023 20:29 4m 6s output_bug
output_bug
December 8, 2023 20:29 4m 6s
Add intercentroid distance Testing #21: Pull request #20 synchronize by maabuu
November 21, 2023 22:06 3m 43s add_centroid_distance_and_kabsch_rmsd
add_centroid_distance_and_kabsch_rmsd
November 21, 2023 22:06 3m 43s