Skip to content

Actions: MolarVerse/ThermoScreening

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
340 workflow runs
340 workflow runs

Filter by Workflow

⌥ + click/return to exclude

Filter by Event

⌥ + click/return to exclude

Filter by Status

⌥ + click/return to exclude

Filter by Branch

⌥ + click/return to exclude

Filter by Actor

⌥ + click/return to exclude
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui (#123) Docs #82: Commit 8d532e1 pushed by galjos
1m 28s main
main
1m 28s
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui (#123) Python application #235: Commit 8d532e1 pushed by galjos
2m 25s main
main
2m 25s
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui Python application #234: Pull request #123 synchronize by galjos
2m 20s xtb-fukui-indices
xtb-fukui-indices
2m 20s
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui Docs #81: Pull request #123 synchronize by galjos
1m 13s xtb-fukui-indices
xtb-fukui-indices
1m 13s
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui Docs #80: Pull request #123 opened by galjos
1m 9s xtb-fukui-indices
xtb-fukui-indices
1m 9s
Add xtb_fukui_indices: per-atom reactivity via xtb --vfukui Python application #233: Pull request #123 opened by galjos
2m 20s xtb-fukui-indices
xtb-fukui-indices
2m 20s
Add generate_thermo_ensemble: charge-state-aware conformers with auto… Python application #232: Commit 7793902 pushed by galjos
2m 42s main
main
2m 42s
Add generate_thermo_ensemble: charge-state-aware conformers with auto… Docs #79: Commit 7793902 pushed by galjos
1m 26s main
main
1m 26s
Add generate_thermo_ensemble: charge-state-aware conformers with auto-retry Docs #78: Pull request #121 opened by galjos
1m 13s robust-conformer-ensemble
robust-conformer-ensemble
1m 13s
Add generate_thermo_ensemble: charge-state-aware conformers with auto-retry Python application #231: Pull request #121 opened by galjos
1m 58s robust-conformer-ensemble
robust-conformer-ensemble
1m 58s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo … Docs #77: Commit 0636de4 pushed by galjos
1m 20s main
main
1m 20s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo … Python application #230: Commit 0636de4 pushed by galjos
2m 20s main
main
2m 20s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo Python application #229: Pull request #119 synchronize by galjos
2m 35s ensemble-thermo-adapter
ensemble-thermo-adapter
2m 35s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo Docs #76: Pull request #119 synchronize by galjos
1m 14s ensemble-thermo-adapter
ensemble-thermo-adapter
1m 14s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo Docs #75: Pull request #119 opened by galjos
1m 6s ensemble-thermo-adapter
ensemble-thermo-adapter
1m 6s
Let pKa/redox helpers consume conformer ensembles via EnsembleThermo Python application #228: Pull request #119 opened by galjos
2m 40s ensemble-thermo-adapter
ensemble-thermo-adapter
2m 40s
Clarify that calibration is required (not just recommended) for pKa (… Docs #74: Commit 923a4c4 pushed by galjos
1m 37s main
main
1m 37s
Clarify that calibration is required (not just recommended) for pKa (… Python application #227: Commit 923a4c4 pushed by galjos
3m 29s main
main
3m 29s
Clarify that calibration is required (not just recommended) for pKa Docs #73: Pull request #117 synchronize by galjos
6m 14s clarify-pka-calibration-necessity
clarify-pka-calibration-necessity
6m 14s
Clarify that calibration is required (not just recommended) for pKa Python application #226: Pull request #117 synchronize by galjos
3m 26s clarify-pka-calibration-necessity
clarify-pka-calibration-necessity
3m 26s
Clarify that calibration is required (not just recommended) for pKa Python application #225: Pull request #117 opened by galjos
8m 24s clarify-pka-calibration-necessity
clarify-pka-calibration-necessity
8m 24s
Clarify that calibration is required (not just recommended) for pKa Docs #72: Pull request #117 opened by galjos
6m 14s clarify-pka-calibration-necessity
clarify-pka-calibration-necessity
6m 14s
Add a pKa helper for proton-coupled redox (#115) Python application #224: Commit 17fa876 pushed by galjos
2m 47s main
main
2m 47s
Add a pKa helper for proton-coupled redox (#115) Docs #71: Commit 17fa876 pushed by galjos
1m 43s main
main
1m 43s
Add a pKa helper for proton-coupled redox Python application #223: Pull request #115 synchronize by galjos
2m 54s add-pka-helper
add-pka-helper
2m 54s