Drug Embeding different bewteen NCI-ALMANAC_drug_molformer_embeddings.pt and Molformer

[feihongloveworld]

DrugName: Altretamine
Orignal Smile: CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C
Canonicalize Smile: CN(C)c1nc(N(C)C)nc(N(C)C)n1
Formula: C9H18N6
Altretamine embeding top50 from DeepSynBa: tensor([-3.1635e-01, -1.4564e-03, 3.2341e-01, -4.1918e-01, -8.6348e-02,
-1.8082e-01, 3.5174e-01, 4.8965e-01, -2.4383e-01, -7.9617e-02,
-2.8747e-01, 3.1545e-01, -1.5346e+00, 4.7416e-01, 1.1294e+00,
-4.1217e-01, 7.3513e-01, -2.6693e-01, -3.3951e-02, 7.2661e-02,
-5.7368e-01, -1.6375e-01, 2.8205e-01, 1.3000e-01, 5.9593e-02,
2.0585e-01, -5.1079e-01, -3.9952e-01, -2.6985e-02, 1.1455e+00,
-4.7536e-01, -1.6711e-02, 6.7398e-01, 2.8184e-01, 4.1583e-01,
-6.4470e-01, -4.1228e-01, -4.3417e-01, -5.7924e-01, -4.4785e-01,
1.9117e-01, 1.0428e+00, -1.3266e-01, -2.6687e-01, -3.1459e-01,
-6.0949e-01, 2.1293e-01, 8.3556e-01, 1.0060e+00, -7.0300e-01])
Altretamine embeding top50 from MolFormer: tensor([-0.1975, 0.4762, 0.6282, 0.1153, -0.6660, -0.0664, -0.8021, -0.1581,
-0.3406, -0.2431, -0.2194, 0.3715, -0.4900, -0.0272, 0.9740, -0.4190,
0.5389, -0.6176, 0.1087, 0.0884, 0.3109, 0.2757, -0.4311, -0.2971,
0.5613, -0.5602, -0.9461, 0.0046, 0.5377, 0.4474, 0.1830, 0.2532,
0.0318, -0.1221, 0.3446, -0.3262, -0.3052, -1.0599, -0.9846, -0.1093,
-0.0678, 0.9190, -0.2211, -0.1257, 0.3714, -0.4268, 0.3277, 0.6004,
1.1523, 0.0149])