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Awallace3
QCMLForge
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Add opt-in "sapt0-bj" D3(BJ) damping set and a cached pair-term path …
Tests
#178:
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8335000
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Awallace3
13m 17s
main
main
13m 17s
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Add opt-in "sapt0-bj" D3(BJ) damping set and a cached pair-term path for fitting
Tests
#177:
Pull request
#36
opened by
Awallace3
13m 5s
d3-sapt0-bj
d3-sapt0-bj
13m 5s
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Register spec_type 11 (OMol25+SPLINTER) and add configurable pairwise training controls
Tests
#176:
Pull request
#34
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Awallace3
14m 3s
omol25-splinter-sapt0indu
omol25-splinter-sapt0indu
14m 3s
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Register spec_type 11 (OMol25+SPLINTER) and add configurable pairwise training controls
Tests
#175:
Pull request
#34
opened by
Awallace3
12m 54s
omol25-splinter-sapt0indu
omol25-splinter-sapt0indu
12m 54s
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Read AP-Net3-D3 atomic features from a MACE foundation backbone
Tests
#174:
Pull request
#32
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Awallace3
12m 7s
mace-tower
mace-tower
12m 7s
View #32
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Read AP-Net3-D3 atomic features from a MACE foundation backbone
Tests
#173:
Pull request
#32
opened by
Awallace3
13m 0s
mace-tower
mace-tower
13m 0s
View #32
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feat(apnet_pt): CLIFF-2 classical model family, exchange anisotropy, and the AP3-D3-FF residual route
Tests
#172:
Pull request
#31
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Awallace3
13m 46s
cliff2-exch-ap3d3ff
cliff2-exch-ap3d3ff
13m 46s
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feat(apnet_pt): CLIFF-2 classical model family, exchange anisotropy, and the AP3-D3-FF residual route
Tests
#171:
Pull request
#31
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14m 37s
cliff2-exch-ap3d3ff
cliff2-exch-ap3d3ff
14m 37s
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feat(apnet_pt): CLIFF-2 classical model family, exchange anisotropy, and the AP3-D3-FF residual route
Tests
#170:
Pull request
#31
opened by
Awallace3
14m 57s
cliff2-exch-ap3d3ff
cliff2-exch-ap3d3ff
14m 57s
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Publish the retrained PyTorch AP2 ensemble as the default pretrained …
Tests
#169:
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207ec96
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12m 27s
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12m 27s
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Publish the retrained PyTorch AP2 ensemble as the default pretrained weights
Tests
#168:
Pull request
#30
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11m 16s
ap2-pt-pretrained-ensemble
ap2-pt-pretrained-ensemble
11m 16s
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Publish the retrained PyTorch AP2 ensemble as the default pretrained weights
Tests
#167:
Pull request
#30
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Awallace3
12m 56s
ap2-pt-pretrained-ensemble
ap2-pt-pretrained-ensemble
12m 56s
View #30
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Publish the retrained PyTorch AP2 ensemble as the default pretrained weights
Tests
#166:
Pull request
#30
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11m 52s
ap2-pt-pretrained-ensemble
ap2-pt-pretrained-ensemble
11m 52s
View #30
View workflow file
Publish the retrained PyTorch AP2 ensemble as the default pretrained weights
Tests
#165:
Pull request
#30
opened by
Awallace3
12m 0s
ap2-pt-pretrained-ensemble
ap2-pt-pretrained-ensemble
12m 0s
View #30
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route (#29)
Tests
#164:
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badb66c
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9m 30s
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main
9m 30s
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#163:
Pull request
#29
synchronize by
Awallace3
11m 41s
ap2-tf-paper-models
ap2-tf-paper-models
11m 41s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#162:
Pull request
#29
synchronize by
Awallace3
13m 33s
ap2-tf-paper-models
ap2-tf-paper-models
13m 33s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#161:
Pull request
#29
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Awallace3
10m 16s
ap2-tf-paper-models
ap2-tf-paper-models
10m 16s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#160:
Pull request
#29
synchronize by
Awallace3
10m 9s
ap2-tf-paper-models
ap2-tf-paper-models
10m 9s
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#159:
Pull request
#29
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Awallace3
12m 22s
ap2-tf-paper-models
ap2-tf-paper-models
12m 22s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#158:
Pull request
#29
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Awallace3
12m 20s
ap2-tf-paper-models
ap2-tf-paper-models
12m 20s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#157:
Pull request
#29
synchronize by
Awallace3
12m 43s
ap2-tf-paper-models
ap2-tf-paper-models
12m 43s
View #29
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Add the paper's AP-Net2 weights and a weights="ap2_tf_paper" route
Tests
#156:
Pull request
#29
opened by
Awallace3
10m 22s
ap2-tf-paper-models
ap2-tf-paper-models
10m 22s
View #29
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feat(apnet_pt): add Rackers Thole damping models
Tests
#155:
Pull request
#24
synchronize by
Awallace3
13m 20s
ind-atom-type
ind-atom-type
13m 20s
View #24
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AP3D3 loader speedups: shard-locality sampling, persistent workers, d…
Tests
#154:
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c0bc2bd
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12m 58s
main
main
12m 58s
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