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Update openmmdlsetup.py CI-CD #954: Commit 67ee220 pushed by talagayev
August 7, 2024 12:18 4m 12s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 7, 2024 12:18 4m 12s
Update configurePdbFile.html CI-CD #953: Commit 5b0eb7f pushed by talagayev
August 7, 2024 08:59 3m 1s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 7, 2024 08:59 3m 1s
Update openmmdlsetup.py CI-CD #952: Commit 0494487 pushed by talagayev
August 7, 2024 08:58 3m 7s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 7, 2024 08:58 3m 7s
Update cleaning_procedures.py CI-CD #951: Commit 87258cb pushed by talagayev
August 7, 2024 08:52 3m 14s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 7, 2024 08:52 3m 14s
Update post_md_conversions.py CI-CD #950: Commit 78487ff pushed by talagayev
August 2, 2024 00:29 3m 3s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 2, 2024 00:29 3m 3s
Update protein_ligand_prep.py CI-CD #949: Commit 6bd6d8b pushed by talagayev
August 1, 2024 12:52 3m 11s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 1, 2024 12:52 3m 11s
Update forcefield_water.py CI-CD #948: Commit 18ac685 pushed by talagayev
August 1, 2024 11:01 3m 57s forcecfield_implementation
forcecfield_implementation
August 1, 2024 11:01 3m 57s
Update forcefield_water.py CI-CD #947: Commit 9186a63 pushed by talagayev
August 1, 2024 10:50 2m 58s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 1, 2024 10:50 2m 58s
Merge pull request #93 from talagayev/Code_class_restructure CI-CD #946: Commit 3008f2c pushed by talagayev
August 1, 2024 10:48 3m 11s OpenMMDL_Setup_Simulation_restructure
OpenMMDL_Setup_Simulation_restructure
August 1, 2024 10:48 3m 11s
Update openmmdlanalysis.py CI-CD #945: Commit aeaa9c7 pushed by talagayev
July 31, 2024 21:49 2m 58s Code_class_restructure
Code_class_restructure
July 31, 2024 21:49 2m 58s
Update rdkit_figure_generation.py CI-CD #944: Commit b7a34d3 pushed by talagayev
July 31, 2024 21:44 3m 14s Code_class_restructure
Code_class_restructure
July 31, 2024 21:44 3m 14s
Update openmmdlanalysis.py CI-CD #943: Commit c2d954d pushed by talagayev
July 31, 2024 14:47 3m 0s Code_class_restructure
Code_class_restructure
July 31, 2024 14:47 3m 0s
Update markov_state_figure_generation.py CI-CD #942: Commit deee471 pushed by talagayev
July 31, 2024 14:45 3m 10s Code_class_restructure
Code_class_restructure
July 31, 2024 14:45 3m 10s
Update openmmdlanalysis.py CI-CD #941: Commit 3a0610c pushed by talagayev
July 31, 2024 13:44 3m 0s Code_class_restructure
Code_class_restructure
July 31, 2024 13:44 3m 0s
Update rmsd_calculation.py CI-CD #940: Commit a6a41f9 pushed by talagayev
July 31, 2024 13:42 3m 9s Code_class_restructure
Code_class_restructure
July 31, 2024 13:42 3m 9s
Update openmmdlanalysis.py CI-CD #939: Commit 0d893b7 pushed by talagayev
July 31, 2024 12:49 3m 13s Code_class_restructure
Code_class_restructure
July 31, 2024 12:49 3m 13s
Update openmmdlanalysis.py CI-CD #938: Commit 298156d pushed by talagayev
July 31, 2024 12:30 3m 14s Code_class_restructure
Code_class_restructure
July 31, 2024 12:30 3m 14s
Adjusted to the changes in the Barcodes classes CI-CD #937: Commit 627d30d pushed by talagayev
July 31, 2024 12:29 3m 3s Code_class_restructure
Code_class_restructure
July 31, 2024 12:29 3m 3s
Adjusted to Classes the Barcodes CI-CD #936: Commit 66ce4af pushed by talagayev
July 31, 2024 12:28 2m 58s Code_class_restructure
Code_class_restructure
July 31, 2024 12:28 2m 58s
Update CI-CD.yml CI-CD #935: Commit 0903242 pushed by talagayev
July 29, 2024 09:37 7m 53s Code_class_restructure
Code_class_restructure
July 29, 2024 09:37 7m 53s
Merge branch 'wolberlab:main' into forcecfield_implementation CI-CD #934: Commit e90bdf7 pushed by talagayev
June 8, 2024 19:13 2m 37s forcecfield_implementation
forcecfield_implementation
June 8, 2024 19:13 2m 37s
Update preprocessing.py CI-CD #933: Commit cf6d3c7 pushed by talagayev
June 8, 2024 19:06 2m 38s RDKit_Converter
RDKit_Converter
June 8, 2024 19:06 2m 38s
Update openmmdlanalysis.py CI-CD #932: Commit 2ef46b7 pushed by talagayev
June 8, 2024 18:59 2m 40s RDKit_Converter
RDKit_Converter
June 8, 2024 18:59 2m 40s
Update preprocessing.py CI-CD #931: Commit 7606e29 pushed by talagayev
June 8, 2024 18:33 2m 54s RDKit_Converter
RDKit_Converter
June 8, 2024 18:33 2m 54s
Update openmmdlanalysis.py CI-CD #930: Commit bd891d1 pushed by talagayev
June 8, 2024 18:33 7m 17s RDKit_Converter
RDKit_Converter
June 8, 2024 18:33 7m 17s