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3
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[ [ 0.38590041, 0.00038323, 3.76665613 ], [ 1.79240882, 4.023668, 1.63335617 ], [ 2.07090416, 3.63420583, 6.29568395 ], [ 2.12700691, 1.57639307, 0.98269568 ], [ 0.24641899, 0.97422992, 4.92206272 ], [ 0.93001459, 3.40297235, ...
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[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
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[ [ 1.99287607, 0.95524024, 5.64153792 ], [ 0.7611466, 0.78376625, 6.48124794 ], [ 2.10939912, 2.31584296, 5.01614699 ], [ 3.03312831, 4.22228655, 6.07615563 ], [ 3.43103548, 3.60520277, 3.23422001 ], [ 0.97242181, 2.35697797, ...
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
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[ [ 0.74098255, 3.7749442, 1.34256091 ], [ 1.69776655, 0.95521366, 2.27459174 ], [ 0.24269388, 2.09624067, 4.36739485 ], [ 0.79276986, 3.18531755, 2.70707901 ], [ -0.58089703, 3.38640358, 0.65237856 ], [ -0.34843491, 3.41012008, ...
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
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[ [ -0.0349364, 0.24775648, 0.32730664 ], [ -1.05313639, 3.07990357, 0.97824943 ], [ 0.03074704, 2.9158485, -0.15182731 ], [ 2.04349903, 1.63937364, 2.48526878 ], [ -0.23672017, 3.30659278, 2.25136278 ], [ 1.32560997, 3.77366946, ...
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
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[ [ 1.09135885, 2.01989876, 4.63407813 ], [ 3.81026533, 3.80343631, 4.13382402 ], [ 1.46207658, 1.99937834, 0.88728539 ], [ 1.53021574, 0.9399341, 5.42812762 ], [ 3.13764991, 3.81764547, 5.28457241 ], [ 1.21711663, 2.53815087, ...
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
[ [ 3.339550685702315, 0, 0.6649626528799925 ], [ 0.990616663705829, 3.923697364334576, 0.543649581626103 ], [ 0, 0, 6.67354 ] ]

Dataset Name

carbon-enantiomorphs

Citation

Please cite Martirossyan et al. (https://arxiv.org/abs/2509.12178) if your work utilizes this dataset.

Description

This carbon-enantiomorphs dataset is cultivated from the carbon-24-unique-with-enantiomorphs dataset.

Contents:
train.xyz - 80 structures which are chiral
test.xyz - 80 of the same structures with opposite handedness

License

CC-BY-4.0

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