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update HBD/HBA calc for Lipinski
Pylint #236: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:05 32s RPirie96:fix_lipinski
October 6, 2023 15:05 32s
update HBD/HBA calc for Lipinski
CI #357: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 7m 58s RPirie96:fix_lipinski
October 6, 2023 15:04 7m 58s
update HBD/HBA calc for Lipinski
Pylint #235: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 30s RPirie96:fix_lipinski
October 6, 2023 15:04 30s
update HBD/HBA calc for Lipinski
Pylint #234: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 35s RPirie96:fix_lipinski
October 6, 2023 15:04 35s
update HBD/HBA calc for Lipinski
CI #356: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 10m 44s RPirie96:fix_lipinski
October 6, 2023 15:04 10m 44s
update HBD/HBA calc for Lipinski
Pylint #233: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 32s RPirie96:fix_lipinski
October 6, 2023 15:04 32s
update HBD/HBA calc for Lipinski
CI #355: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:04 11m 18s RPirie96:fix_lipinski
October 6, 2023 15:04 11m 18s
update HBD/HBA calc for Lipinski
CI #354: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:03 12m 5s RPirie96:fix_lipinski
October 6, 2023 15:03 12m 5s
update HBD/HBA calc for Lipinski
Pylint #232: Pull request #51 synchronize by bieniekmateusz
October 6, 2023 15:03 36s RPirie96:fix_lipinski
October 6, 2023 15:03 36s
update HBD/HBA calc for Lipinski
Pylint #231: Pull request #51 opened by RPirie96
October 5, 2023 16:54 30s RPirie96:fix_lipinski
October 5, 2023 16:54 30s
update HBD/HBA calc for Lipinski
CI #353: Pull request #51 opened by RPirie96
October 5, 2023 16:54 11m 26s RPirie96:fix_lipinski
October 5, 2023 16:54 11m 26s
added rdkit QED to .toxicity() and added PLIP interaction analysis
Pylint #230: Pull request #50 synchronize by BenCree
September 22, 2023 17:42 32s qed_plip
September 22, 2023 17:42 32s
added rdkit QED to .toxicity() and added PLIP interaction analysis
CI #352: Pull request #50 synchronize by BenCree
September 22, 2023 17:42 5m 35s qed_plip
September 22, 2023 17:42 5m 35s
added interaction summary column to plip output
CI #351: Commit 8280732 pushed by BenCree
September 22, 2023 17:42 5m 31s qed_plip
September 22, 2023 17:42 5m 31s
added interaction summary column to plip output
Pylint #229: Commit 8280732 pushed by BenCree
September 22, 2023 17:42 32s qed_plip
September 22, 2023 17:42 32s
added rdkit QED to .toxicity() and added PLIP interaction analysis
CI #350: Pull request #50 synchronize by BenCree
August 22, 2023 17:58 5m 46s qed_plip
August 22, 2023 17:58 5m 46s
added rdkit QED to .toxicity() and added PLIP interaction analysis
Pylint #228: Pull request #50 synchronize by BenCree
August 22, 2023 17:58 31s qed_plip
August 22, 2023 17:58 31s
August 22, 2023 17:58 5m 32s
August 22, 2023 17:58 32s
added rdkit QED to .toxicity() and added PLIP interaction analysis
CI #348: Pull request #50 opened by BenCree
August 22, 2023 17:35 5m 54s qed_plip
August 22, 2023 17:35 5m 54s
added rdkit QED to .toxicity() and added PLIP interaction analysis
Pylint #226: Pull request #50 opened by BenCree
August 22, 2023 17:35 27s qed_plip
August 22, 2023 17:35 27s
August 22, 2023 17:34 28s
August 22, 2023 17:34 5m 18s
Merge pull request #49 from cole-group/correct_writing_pdbs
Pylint #224: Commit 3619892 pushed by BenCree
August 22, 2023 17:29 31s plip_qed
August 22, 2023 17:29 31s
Merge pull request #49 from cole-group/correct_writing_pdbs
CI #346: Commit 3619892 pushed by BenCree
August 22, 2023 17:29 9m 2s plip_qed
August 22, 2023 17:29 9m 2s
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