Datasets:

---

vector-institute

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atom3d-smp

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Vector Institute 53

[ 6, 6, 6, 8, 6, 8, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]

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[ 3.37355, 1.97309, 1.26132, 0.5202, 64.05, -0.1829, 0.0368, 0.2197, 922.8387, 0.118414, -399.82175, -399.813529, -399.812585, -399.853992, 29.9, -2.3729600000000346, -2.3859840000000077, -2.39920699999999, -2.2129569999999603, -14.814999999999998 ]

[ 7, 6, 6, 8, 6, 8, 6, 7, 1, 1, 1, 1, 1, 1 ]

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[ 7, 6, 6, 7, 6, 7, 6, 8, 1, 1, 1, 1, 1, 1, 1 ]

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[ 3.42195, 1.9599, 1.26284, 1.9365, 63.99, -0.1772, 0.0515, 0.2288, 914.7109, 0.12054, -395.995393, -395.987162, -395.986218, -396.02765, 30.437, -2.290232000000003, -2.303245000000061, -2.316467999999986, -2.129670000000033, -14.277999999999995 ]

[ 7, 6, 6, 7, 6, 8, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]

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[ 3.35282, 1.99153, 1.26056, 1.5544, 64.58, -0.1696, 0.055, 0.2246, 909.9946, 0.119738, -395.99248, -395.983965, -395.98302, -396.025034, 31.312, -2.287319000000025, -2.3000480000000607, -2.3132699999999886, -2.1270540000000437, -13.402999999999995 ]

[ 7, 6, 6, 7, 6, 8, 6, 8, 1, 1, 1, 1, 1, 1 ]

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[ 7, 6, 6, 8, 6, 7, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]

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[ 7, 6, 6, 8, 6, 7, 6, 8, 1, 1, 1, 1, 1, 1 ]

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[ 7, 6, 6, 8, 6, 8, 6, 7, 1, 1, 1, 1, 1, 1 ]

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[ 8, 6, 6, 7, 6, 8, 6, 8, 1, 1, 1, 1, 1 ]

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[ 3.37808, 2.02317, 1.27068, 1.8107, 55.83, -0.1741, 0.0445, 0.2185, 868.4932, 0.094885, -435.748028, -435.740073, -435.739129, -435.77971, 29.418, -2.081976999999995, -2.092433999999969, -2.103767000000005, -1.9423140000000103, -9.335 ]

[ 6, 7, 6, 7, 8, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1 ]

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[ 6, 7, 6, 8, 7, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1 ]

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[ 3.42135, 2.14828, 1.3354, 4.5593, 63.65, -0.1743, 0.058, 0.2323, 872.6653, 0.119996, -396.033605, -396.025455, -396.024511, -396.065899, 29.326, -2.3284440000000473, -2.341538000000071, -2.3547609999999963, -2.1679190000000403, -15.388999999999996 ]

[ 6, 7, 6, 8, 7, 6, 6, 8, 1, 1, 1, 1, 1, 1 ]

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[ 3.43507, 2.17467, 1.34292, 4.4805, 59.51, -0.179, 0.0521, 0.2311, 850.4343, 0.107184, -415.910643, -415.90251, -415.901566, -415.943133, 28.641, -2.225036999999986, -2.2367320000000177, -2.2490099999999984, -2.075445000000002, -13.092999999999996 ]

[ 6, 7, 6, 8, 8, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1 ]

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[ 3.41846, 2.12956, 1.33412, 5.045, 63.06, -0.2075, 0.0298, 0.2373, 885.2419, 0.118837, -399.861763, -399.853993, -399.853049, -399.893854, 27.735, -2.4129730000000222, -2.4264479999999935, -2.4396709999999757, -2.2528189999999313, -16.979999999999997 ]

[ 6, 7, 6, 8, 8, 6, 6, 7, 1, 1, 1, 1, 1, 1 ]

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[ 6, 7, 6, 6, 6, 6, 6, 7, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

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[ 6, 7, 6, 6, 6, 6, 6, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

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