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Bump nvalchemiops Test #507: Pull request #157 opened by vsimkus
4m 45s bump-nvalchemiops
bump-nvalchemiops
4m 45s
Fix warp errors Test #506: Commit bd6136b pushed by vsimkus
4m 33s bump-nvalchemiops
bump-nvalchemiops
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bump nvalchemiops Test #505: Commit 7d80654 pushed by vsimkus
4m 38s bump-nvalchemiops
bump-nvalchemiops
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bump nvalchemiops Test #504: Commit 58c7f2c pushed by vsimkus
1m 55s bump-nvalchemiops
bump-nvalchemiops
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Fix enable/disable stress in finetune.py (#155) Test #503: Commit d839657 pushed by vsimkus
4m 36s bump-nvalchemiops
bump-nvalchemiops
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Fix enable/disable stress in finetune.py (#155) Test #502: Commit d839657 pushed by timduignan
4m 20s main
main
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Fix enable/disable stress in finetune.py Test #501: Pull request #155 synchronize by vsimkus
4m 5s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 5s
Limit nvalchemiops <0.3.0 Test #500: Commit 85d89d7 pushed by vsimkus
4m 22s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 22s
Fix enable/disable stress in finetune.py Test #499: Pull request #155 synchronize by vsimkus
1m 49s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
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Remove stress from properties when toggled off + tests for calculator… Test #498: Commit 404d620 pushed by vsimkus
1m 56s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
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Fix enable/disable stress in finetune.py Test #497: Pull request #155 synchronize by vsimkus
4m 20s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
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Fix enable/disable stress in finetune.py Test #496: Commit b2937bc pushed by vsimkus
4m 18s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 18s
Reimplement from_ase_atoms_list with parallel Alchemi-based graph co… Test #495: Commit b0ace47 pushed by vsimkus
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main
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Reimplement from_ase_atoms_list with parallel Alchemi-based graph construction Test #494: Pull request #154 synchronize by vsimkus
4m 22s zdcao121:feat/parallel-from-ase-atoms-list
zdcao121:feat/parallel-from-ase-atoms-list
4m 22s
Reimplement from_ase_atoms_list with parallel Alchemi-based graph construction Test #493: Pull request #154 synchronize by zdcao121
1m 27s zdcao121:feat/parallel-from-ase-atoms-list
zdcao121:feat/parallel-from-ase-atoms-list
1m 27s
Fix enable/disable stress in finetune.py Test #491: Pull request #155 opened by vsimkus
4m 25s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 25s
Reimplement from_ase_atoms_list with parallel Alchemi-based graph construction Test #490: Pull request #154 synchronize by zdcao121
54s zdcao121:feat/parallel-from-ase-atoms-list
zdcao121:feat/parallel-from-ase-atoms-list
54s
Fix enable/disable stress in finetune.py Test #488: Commit 971dd29 pushed by vsimkus
4m 54s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 54s
Turn off stress for conservative-omol model when finetuning Test #487: Commit 2510955 pushed by vsimkus
4m 41s fix-conservative-stress-in-finetuning
fix-conservative-stress-in-finetuning
4m 41s
v0.6.1 Publish Python Package #24: Release v0.6.1 created by benrhodes26
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4m 58s
Added dftd3_parameters.pt to the package (#151) Test #486: Commit 12fd31d pushed by benrhodes26
4m 29s v0.6.1
v0.6.1
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Added dftd3_parameters.pt to the package (#151) Test #485: Commit 12fd31d pushed by benrhodes26
5m 1s main
main
5m 1s
Added dftd3_parameters.pt to the package Test #484: Pull request #151 opened by vsimkus
4m 46s package-dtfd3-params
package-dtfd3-params
4m 46s
Added dftd3_parameters.pt to the package Test #483: Commit 400c482 pushed by vsimkus
4m 30s package-dtfd3-params
package-dtfd3-params
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Enable stress prediction for orb-v3-conservative-omol (#150) Test #482: Commit 095cd1f pushed by timduignan
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main
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