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validation.yml
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Add inchi sanity check Validation #47: Pull request #45 synchronize by maabuu
August 13, 2024 07:51 27s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:51 27s
Add inchi sanity check Validation #46: Pull request #45 synchronize by maabuu
August 13, 2024 07:44 30s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:44 30s
Add inchi sanity check Validation #45: Pull request #45 synchronize by maabuu
August 13, 2024 07:16 26s energy_ratio_fails
energy_ratio_fails
August 13, 2024 07:16 26s
Add inchi sanity check Validation #44: Pull request #45 synchronize by maabuu
August 12, 2024 17:07 27s energy_ratio_fails
energy_ratio_fails
August 12, 2024 17:07 27s
Add inchi sanity check Validation #43: Pull request #45 opened by maabuu
August 12, 2024 17:02 3m 7s energy_ratio_fails
energy_ratio_fails
August 12, 2024 17:02 3m 7s
Clip SuCOS score Validation #42: Pull request #43 opened by maabuu
July 10, 2024 12:44 3m 2s clip_sucos
clip_sucos
July 10, 2024 12:44 3m 2s
Bug fix SuCOS score Validation #41: Pull request #42 opened by maabuu
July 10, 2024 11:25 3m 1s color_and_shape
color_and_shape
July 10, 2024 11:25 3m 1s
Fix mol objects bug Validation #40: Pull request #40 opened by maabuu
June 10, 2024 11:07 1m 20s pass_mol_objects
pass_mol_objects
June 10, 2024 11:07 1m 20s
Add timeout decorator to RMSD calculations to prevent occasional process deadlocks Validation #39: Pull request #39 opened by amorehead
June 3, 2024 02:13 1m 0s amorehead:rmsd-timeout
amorehead:rmsd-timeout
June 3, 2024 02:13 1m 0s
Support mol2 files as ground truth Validation #38: Pull request #37 synchronize by maabuu
May 22, 2024 09:51 27s mol2_ground_truth
mol2_ground_truth
May 22, 2024 09:51 27s
Support mol2 files as ground truth Validation #37: Pull request #37 synchronize by maabuu
May 22, 2024 08:18 27s mol2_ground_truth
mol2_ground_truth
May 22, 2024 08:18 27s
Support mol2 files as ground truth Validation #36: Pull request #37 synchronize by maabuu
May 21, 2024 21:32 31s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:32 31s
Support mol2 files as ground truth Validation #35: Pull request #37 synchronize by maabuu
May 21, 2024 21:28 26s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:28 26s
Support mol2 files as ground truth Validation #34: Pull request #37 opened by maabuu
May 21, 2024 21:25 59s mol2_ground_truth
mol2_ground_truth
May 21, 2024 21:25 59s
Fix numbering bug Validation #33: Pull request #33 opened by maabuu
March 19, 2024 15:38 1m 23s fix_numbering_bug
fix_numbering_bug
March 19, 2024 15:38 1m 23s
Fix return atom indexes of clashes Validation #32: Pull request #32 opened by Endyff
March 19, 2024 13:21 55s Endyff:distance_geometry_indexing_fix
Endyff:distance_geometry_indexing_fix
March 19, 2024 13:21 55s
Energy ratio bug Validation #31: Pull request #30 opened by maabuu
March 15, 2024 10:06 1m 2s energy_ratio_bug
energy_ratio_bug
March 15, 2024 10:06 1m 2s
Catch divide-by-zero error in energy_ratio.py Validation #30: Pull request #29 synchronize by amorehead
March 14, 2024 00:48 1m 4s amorehead:patch-1
amorehead:patch-1
March 14, 2024 00:48 1m 4s
Testing molecule generation models Validation #27: Pull request #25 synchronize by maabuu
February 20, 2024 14:23 28s sucos
sucos
February 20, 2024 14:23 28s
Testing molecule generation models Validation #26: Pull request #25 synchronize by maabuu
February 20, 2024 14:20 23s sucos
sucos
February 20, 2024 14:20 23s
Testing molecule generation models Validation #25: Pull request #25 opened by maabuu
February 20, 2024 14:14 1m 4s sucos
sucos
February 20, 2024 14:14 1m 4s
Update dev tools Validation #24: Pull request #24 synchronize by maabuu
February 20, 2024 11:08 1m 2s update-tools
update-tools
February 20, 2024 11:08 1m 2s
Update dev tools Validation #23: Pull request #24 opened by maabuu
February 20, 2024 10:41 49s update-tools
update-tools
February 20, 2024 10:41 49s
Fix output bug Validation #22: Pull request #22 synchronize by maabuu
December 8, 2023 20:29 1m 9s output_bug
output_bug
December 8, 2023 20:29 1m 9s
Add intercentroid distance Validation #21: Pull request #20 synchronize by maabuu
November 21, 2023 22:06 1m 1s add_centroid_distance_and_kabsch_rmsd
add_centroid_distance_and_kabsch_rmsd
November 21, 2023 22:06 1m 1s