Upload 10 files
Browse files- .gitattributes +4 -0
- data/md17_ood_sim/md17_aspirin_benzene_uracil_train.xyz +3 -0
- data/md17_ood_sim/md17_naphthalene_test.xyz +0 -0
- data/md17_ood_sim/md17_toluene_test.xyz +0 -0
- data/md22_force_norm/ala3_train_less_than_one_point_seven.xyz +0 -0
- data/md22_force_norm/ala3_val_more_than_one_point_seven.xyz +0 -0
- data/md22_force_norm/bucky_train_less_than_one_point_seven.xyz +3 -0
- data/md22_force_norm/bucky_val_more_than_one_point_seven.xyz +0 -0
- data/md22_force_norm/stachyose_train_less_than_one_point_seven.xyz +3 -0
- data/md22_force_norm/stachyose_val_more_than_one_point_seven.xyz +0 -0
- data/spicev2_ood_atoms.xyz +3 -0
.gitattributes
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@@ -57,3 +57,7 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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data/md17_ood_sim/md17_aspirin_benzene_uracil_train.xyz filter=lfs diff=lfs merge=lfs -text
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data/md22_force_norm/bucky_train_less_than_one_point_seven.xyz filter=lfs diff=lfs merge=lfs -text
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data/md22_force_norm/stachyose_train_less_than_one_point_seven.xyz filter=lfs diff=lfs merge=lfs -text
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data/spicev2_ood_atoms.xyz filter=lfs diff=lfs merge=lfs -text
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data/md17_ood_sim/md17_aspirin_benzene_uracil_train.xyz
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version https://git-lfs.github.com/spec/v1
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size 25789785
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data/md17_ood_sim/md17_naphthalene_test.xyz
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data/md17_ood_sim/md17_toluene_test.xyz
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data/md22_force_norm/ala3_train_less_than_one_point_seven.xyz
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data/md22_force_norm/ala3_val_more_than_one_point_seven.xyz
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data/md22_force_norm/bucky_train_less_than_one_point_seven.xyz
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version https://git-lfs.github.com/spec/v1
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size 21085416
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data/md22_force_norm/bucky_val_more_than_one_point_seven.xyz
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data/md22_force_norm/stachyose_train_less_than_one_point_seven.xyz
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version https://git-lfs.github.com/spec/v1
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data/md22_force_norm/stachyose_val_more_than_one_point_seven.xyz
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data/spicev2_ood_atoms.xyz
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version https://git-lfs.github.com/spec/v1
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