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added rdkit QED to .toxicity() and added PLIP interaction analysis Pylint #248: Pull request #50 synchronize by BenCree
October 17, 2023 00:32 39s qed_plip
qed_plip
October 17, 2023 00:32 39s
editing plip function Pylint #247: Commit 0aace60 pushed by BenCree
October 17, 2023 00:32 40s qed_plip
qed_plip
October 17, 2023 00:32 40s
editing plip function CI #369: Commit 0aace60 pushed by BenCree
October 17, 2023 00:32 9m 21s qed_plip
qed_plip
October 17, 2023 00:32 9m 21s
added rdkit QED to .toxicity() and added PLIP interaction analysis Pylint #246: Pull request #50 synchronize by BenCree
October 11, 2023 20:37 36s qed_plip
qed_plip
October 11, 2023 20:37 36s
added rdkit QED to .toxicity() and added PLIP interaction analysis CI #368: Pull request #50 synchronize by BenCree
October 11, 2023 20:37 10m 42s qed_plip
qed_plip
October 11, 2023 20:37 10m 42s
added MDAnalysis to env.yml CI #367: Commit 051445c pushed by BenCree
October 11, 2023 20:37 9m 14s qed_plip
qed_plip
October 11, 2023 20:37 9m 14s
added MDAnalysis to env.yml Pylint #245: Commit 051445c pushed by BenCree
October 11, 2023 20:37 31s qed_plip
qed_plip
October 11, 2023 20:37 31s
added plip as a dependency Pylint #244: Commit edca9a6 pushed by BenCree
October 11, 2023 18:10 2m 2s qed_plip
qed_plip
October 11, 2023 18:10 2m 2s
added plip as a dependency CI #366: Commit edca9a6 pushed by BenCree
October 11, 2023 18:10 5m 28s qed_plip
qed_plip
October 11, 2023 18:10 5m 28s
added rdkit QED to .toxicity() and added PLIP interaction analysis Pylint #243: Pull request #50 synchronize by BenCree
October 11, 2023 18:09 2m 38s qed_plip
qed_plip
October 11, 2023 18:09 2m 38s
added rdkit QED to .toxicity() and added PLIP interaction analysis CI #365: Pull request #50 synchronize by BenCree
October 11, 2023 18:09 6m 14s qed_plip
qed_plip
October 11, 2023 18:09 6m 14s
Merge pull request #52 from cole-group/keeping_original_scaffold Pylint #242: Commit b841a71 pushed by bieniekmateusz
October 6, 2023 18:38 34s master
master
October 6, 2023 18:38 34s
Merge pull request #52 from cole-group/keeping_original_scaffold CI #364: Commit b841a71 pushed by bieniekmateusz
October 6, 2023 18:38 8m 15s master
master
October 6, 2023 18:38 8m 15s
pages build and deployment pages-build-deployment #187: by bieniekmateusz
October 6, 2023 18:38 48s
October 6, 2023 18:38 48s
Keeping original scaffold CI #363: Pull request #52 synchronize by bieniekmateusz
October 6, 2023 18:22 9m 3s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 18:22 9m 3s
Keeping original scaffold Pylint #241: Pull request #52 synchronize by bieniekmateusz
October 6, 2023 18:22 30s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 18:22 30s
RDKit by default don't have this attribute. Pylint #240: Commit ea6d2bc pushed by bieniekmateusz
October 6, 2023 18:22 28s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 18:22 28s
RDKit by default don't have this attribute. CI #362: Commit ea6d2bc pushed by bieniekmateusz
October 6, 2023 18:22 8m 57s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 18:22 8m 57s
Keeping original scaffold CI #361: Pull request #52 opened by bieniekmateusz
October 6, 2023 17:07 4m 54s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 17:07 4m 54s
Keeping original scaffold Pylint #239: Pull request #52 opened by bieniekmateusz
October 6, 2023 17:07 33s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 17:07 33s
When attaching multiple groups in the same session (e.g. +linker +R) … CI #360: Commit eabcc72 pushed by bieniekmateusz
October 6, 2023 16:33 4m 49s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 16:33 4m 49s
When attaching multiple groups in the same session (e.g. +linker +R) … Pylint #238: Commit eabcc72 pushed by bieniekmateusz
October 6, 2023 16:33 27s keeping_original_scaffold
keeping_original_scaffold
October 6, 2023 16:33 27s
update HBD/HBA calc for Lipinski CI #359: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:05 9m 26s RPirie96:fix_lipinski
RPirie96:fix_lipinski
October 6, 2023 15:05 9m 26s
update HBD/HBA calc for Lipinski Pylint #237: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:05 32s RPirie96:fix_lipinski
RPirie96:fix_lipinski
October 6, 2023 15:05 32s
update HBD/HBA calc for Lipinski CI #358: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:05 8m 52s RPirie96:fix_lipinski
RPirie96:fix_lipinski
October 6, 2023 15:05 8m 52s
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