Datasets:

---

vector-institute

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atom3d-smp

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Vector Institute 53

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

[ [ 0.017467, -1.164932, -0.003639 ], [ 0.002266, -0.007971, 0.003287 ], [ -0.017201, 1.423446, 0.010878 ], [ -1.228964, 2.120968, 0.030718 ], [ -1.186638, 3.510908, 0.037323 ], [ -0.055223, 4.220674, 0.025808 ], [ 1.095063, 3.542083, 0.006888 ], [ 1.175154, 2.153817, -0.00135 ], [ -2.173438, 1.591026, 0.040653 ], [ -2.111577, 4.081473, 0.052668 ], [ 2.004151, 4.137708, -0.002227 ], [ 2.133681, 1.649876, -0.016798 ] ]

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

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

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[ 6.03706, 1.62284, 1.27902, 4.0331, 65.94, -0.2787, -0.0885, 0.1901, 851.4152, 0.075094, -356.497715, -356.491833, -356.490889, -356.527901, 21.312, -2.011453000000074, -2.0211519999999723, -2.0305949999999484, -1.8918439999999919, -11.478999999999996 ]

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

[ [ 0.018136, -1.161396, -0.003137 ], [ 0.002022, -0.004086, 0.003173 ], [ -0.017284, 1.421843, 0.010768 ], [ -1.217227, 2.144022, 0.030414 ], [ -1.240571, 3.472935, 0.037577 ], [ -0.053342, 4.083813, 0.02497 ], [ 1.149995, 3.505489, 0.006028 ], [ 1.162654, 2.176429, -0.000994 ], [ -2.172826, 1.626622, 0.040422 ], [ -0.068063, 5.170444, 0.030786 ], [ 2.131916, 1.685241, -0.016388 ] ]

[ 6.06237, 1.59232, 1.26109, 1.9964, 64.92, -0.2791, -0.0806, 0.1986, 857.7698, 0.07545, -356.505631, -356.499726, -356.498782, -356.535847, 21.266, -2.01936900000004, -2.0290449999999964, -2.0384879999999725, -1.8997899999999959, -11.524999999999999 ]

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

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[ 5.86576, 1.60007, 1.25714, 5.6205, 69.76, -0.2808, -0.0669, 0.2139, 878.977, 0.087129, -340.456348, -340.450383, -340.449439, -340.486542, 22.197, -2.206901999999957, -2.2179350000000113, -2.228322999999989, -2.077137999999991, -13.575 ]

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

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

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

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

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[ 5.256, 1.56596, 1.2065, 3.2146, 73.64, -0.2541, -0.062, 0.1921, 932.1798, 0.10962, -345.487298, -345.480999, -345.480055, -345.517825, 23.879, -2.493676999999991, -2.507208999999989, -2.5194869999999128, -2.3435120000000325, -17.855 ]

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

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[ 5.54545, 1.56044, 1.21777, 1.6094, 68.36, -0.2654, -0.0831, 0.1823, 907.3817, 0.097846, -361.531106, -361.524893, -361.523949, -361.561669, 22.879, -2.3006690000000276, -2.312870000000089, -2.3242030000000113, -2.1607029999999554, -15.873999999999999 ]

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

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

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[ 5.5809, 1.61137, 1.25035, 1.601, 63.77, -0.269, -0.0872, 0.1818, 874.8874, 0.086076, -377.580268, -377.574108, -377.573164, -377.610836, 22.017, -2.1130150000000185, -2.1238520000000563, -2.134239999999977, -1.9832170000000247, -13.754999999999999 ]

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

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

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

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

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[ 5.21971, 1.60141, 1.23475, 5.4188, 75.53, -0.1994, -0.016, 0.1835, 948.2274, 0.120988, -358.874614, -358.867325, -358.86638, -358.906536, 26.534, -2.387260000000026, -2.4012160000000335, -2.4144379999999614, -2.226771000000042, -18.180999999999997 ]

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

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

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

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

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

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

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

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

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

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