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fix(stat): enforce preset_out_bias in change-by-statistic and share its handling
Test Python
#17690:
Pull request
#6022
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fix(stat): enforce preset_out_bias in change-by-statistic and share its handling
Test Python
#17689:
Pull request
#6022
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fix(pair-tab): validate uniform distance grid to avoid silently wrong…
Test Python
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fix(dpmodel): preserve nopbc batch semantics (#6003)
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Test Python
Test Python
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1h 33m 43s
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Test Python
Test Python
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1h 35m 56s
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feat(pt): add charge density prediction support
Test Python
#17684:
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feat(pt): add charge density prediction support
Test Python
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fix(examples): make the DPA4 multi-task examples valid for pt_expt
Test Python
#17682:
Pull request
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1h 33m 10s
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feat: add the Uni-Mol v1 backbone and its self-supervised pretraining
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#17681:
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feat(pt): add charge density prediction support
Test Python
#17680:
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feat: add the Uni-Mol v1 backbone and its self-supervised pretraining
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#17679:
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chore: remove dead denoise code
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#17678:
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feat(pt,pd): exact full-scan output statistics via streaming QR (#6011)
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chore: remove dead denoise code
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#17676:
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feat: add the Uni-Mol v1 backbone and its self-supervised pretraining
Test Python
#17675:
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#6019
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1h 26m 9s
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chore: remove dead denoise code
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#17674:
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Test Python
Test Python
#17673:
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Test Python
Test Python
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1h 41m 43s
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feat(dpa4): add fixed radial presets and improve export correctness
Test Python
#17671:
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1h 22m 58s
OutisLi:pr/dpa4
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fix(disp): div 0 error when using disp_avg under multitask
Test Python
#17670:
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feat(dpa4): add fixed radial presets and improve export correctness
Test Python
#17669:
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1h 24m 24s
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feat(dpa4): add fixed radial presets and improve export correctness
Test Python
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51m 21s
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feat(data): add dpdata format conversion
Test Python
#17667:
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feat(dpa4): add fixed radial presets and improve export correctness
Test Python
#17666:
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