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Added conformer generator example workflow Lint Python #55: Pull request #71 synchronize by CRingroseCCDC
November 22, 2024 16:06 21s CRingroseCCDC-patch-1
CRingroseCCDC-patch-1
November 22, 2024 16:06 21s
Added conformer generator example workflow Lint Python #54: Pull request #71 opened by CRingroseCCDC
November 22, 2024 15:50 25s CRingroseCCDC-patch-1
CRingroseCCDC-patch-1
November 22, 2024 15:50 25s
Added Topology Surface Charge SCI-1404 Lint Python #53: Pull request #69 synchronize by Alex-AMC
October 8, 2024 09:44 22s surface_charge_script
surface_charge_script
October 8, 2024 09:44 22s
Added Topology Surface Charge SCI-1404 Lint Python #52: Pull request #69 synchronize by Alex-AMC
October 3, 2024 14:40 25s surface_charge_script
surface_charge_script
October 3, 2024 14:40 25s
Added Topology Surface Charge SCI-1404 Lint Python #51: Pull request #69 opened by Alex-AMC
October 1, 2024 13:48 21s surface_charge_script
surface_charge_script
October 1, 2024 13:48 21s
Improves folder's names on multiple coformers runs Lint Python #50: Pull request #68 opened by MilitaoLucas
August 22, 2024 20:33 23s MilitaoLucas:lucasMilitao
MilitaoLucas:lucasMilitao
August 22, 2024 20:33 23s
Surface Charge Script Lint Python #49: Pull request #67 synchronize by Alex-AMC
August 20, 2024 14:13 18s surface_charge_script
surface_charge_script
August 20, 2024 14:13 18s
Surface Charge Script Lint Python #48: Pull request #67 synchronize by maloney-ccdc
August 20, 2024 12:24 33s surface_charge_script
surface_charge_script
August 20, 2024 12:24 33s
Surface Charge Script Lint Python #47: Pull request #67 synchronize by Alex-AMC
August 20, 2024 10:33 20s surface_charge_script
surface_charge_script
August 20, 2024 10:33 20s
Surface Charge Script Lint Python #46: Pull request #67 opened by Alex-AMC
August 20, 2024 10:23 21s surface_charge_script
surface_charge_script
August 20, 2024 10:23 21s
Fixes problem that NoneTypes are TypeErrors Lint Python #45: Pull request #65 opened by MilitaoLucas
July 19, 2024 12:59 24s MilitaoLucas:LucasMilitao2
MilitaoLucas:LucasMilitao2
July 19, 2024 12:59 24s
PR to verify disorders on input structure and improve error handling Lint Python #44: Pull request #64 opened by MilitaoLucas
July 10, 2024 18:12 18s MilitaoLucas:LucasMilitao2
MilitaoLucas:LucasMilitao2
July 10, 2024 18:12 18s
PR to verify disorders Lint Python #43: Pull request #63 opened by MilitaoLucas
July 9, 2024 22:45 17s MilitaoLucas:LucasMilitao
MilitaoLucas:LucasMilitao
July 9, 2024 22:45 17s
Output dir bug fix no jira Lint Python #42: Pull request #61 opened by pmbulit
July 4, 2024 09:57 19s output_dir_bug_fix_NO_JIRA
output_dir_bug_fix_NO_JIRA
July 4, 2024 09:57 19s
adding scripts from 2017 mof subset paper NO_JIRA Lint Python #41: Pull request #60 opened by sbwiggin
July 2, 2024 15:30 27s add_scripts_from_2017_mof_subset_paper
add_scripts_from_2017_mof_subset_paper
July 2, 2024 15:30 27s
add scripts and ReadMe from 2017 mof subset paper NO_JIRA Lint Python #40: Pull request #59 opened by sbwiggin
July 2, 2024 14:55 23s sbwiggin:add_mof_subset_paper_scripts
sbwiggin:add_mof_subset_paper_scripts
July 2, 2024 14:55 23s
Added or statement to avoid negative networks in landscape NO_JIRA Lint Python #39: Pull request #57 opened by pmbulit
May 31, 2024 14:57 18s hbp_neg_networks_bug_fix
hbp_neg_networks_bug_fix
May 31, 2024 14:57 18s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #38: Pull request #55 synchronize by Alex-AMC
May 13, 2024 07:03 25s api_paper_examples
api_paper_examples
May 13, 2024 07:03 25s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #37: Pull request #55 synchronize by jasonccole
May 10, 2024 11:26 24s api_paper_examples
api_paper_examples
May 10, 2024 11:26 24s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #36: Pull request #55 synchronize by jasonccole
May 10, 2024 11:17 18s api_paper_examples
api_paper_examples
May 10, 2024 11:17 18s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #35: Pull request #55 synchronize by jasonccole
May 10, 2024 11:14 16s api_paper_examples
api_paper_examples
May 10, 2024 11:14 16s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #34: Pull request #55 synchronize by jasonccole
May 10, 2024 11:07 19s api_paper_examples
api_paper_examples
May 10, 2024 11:07 19s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #33: Pull request #55 synchronize by jasonccole
May 10, 2024 11:07 16s api_paper_examples
api_paper_examples
May 10, 2024 11:07 16s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #32: Pull request #55 synchronize by jasonccole
May 10, 2024 11:02 15s api_paper_examples
api_paper_examples
May 10, 2024 11:02 15s
Initial Commit of example scripts for the CSD Python API Paper Lint Python #31: Pull request #55 synchronize by jasonccole
May 10, 2024 11:00 16s api_paper_examples
api_paper_examples
May 10, 2024 11:00 16s