diff --git "a/checkpoints/DiffCSP/Carbon24/result.out" "b/checkpoints/DiffCSP/Carbon24/result.out"
new file mode 100644--- /dev/null
+++ "b/checkpoints/DiffCSP/Carbon24/result.out"
@@ -0,0 +1,3322 @@
+--dataset=Carbon24 --lr=5e-4 --lr_scheduler=None --epochs=1000 --num_evals=1 --batch_size=1024 --emb_dim=128 --output_model_dir=../output_DiffCSP/Carbon24/5e-4_None_1024_128_1_1000
+Wed 07 Feb 2024 12:18:25 PM EST
+start
+/gpfs/home/admin.shengchao.liu/Crystal_Generation_workspace/Crystallization_Generation_Diffusion_dev/crystallization/models/DiffCSP/common/data_utils.py:904: UserWarning: To copy construct from a tensor, it is recommended to use sourceTensor.clone().detach() or sourceTensor.clone().detach().requires_grad_(True), rather than torch.tensor(sourceTensor).
+  X = torch.tensor(X, dtype=torch.float)
+model CSPDiffusion(
+  (decoder): CSPNet(
+    (node_embedding): Embedding(100, 512)
+    (atom_latent_emb): Linear(in_features=768, out_features=512, bias=True)
+    (act_fn): SiLU()
+    (dis_emb): SinusoidsEmbedding()
+    (csp_layer_0): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (csp_layer_1): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (csp_layer_2): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (csp_layer_3): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (csp_layer_4): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (csp_layer_5): CSPLayer(
+      (dis_emb): SinusoidsEmbedding()
+      (edge_mlp): Sequential(
+        (0): Linear(in_features=1801, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (node_mlp): Sequential(
+        (0): Linear(in_features=1024, out_features=512, bias=True)
+        (1): SiLU()
+        (2): Linear(in_features=512, out_features=512, bias=True)
+        (3): SiLU()
+      )
+      (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+    )
+    (coord_out): Linear(in_features=512, out_features=3, bias=False)
+    (lattice_out): Linear(in_features=512, out_features=9, bias=False)
+    (final_layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True)
+  )
+  (beta_scheduler): BetaScheduler()
+  (sigma_scheduler): SigmaScheduler()
+  (time_embedding): SinusoidalTimeEmbeddings()
+)
+
+epoch 1
+train lattice loss: 27.366275	coord loss: 1.212722
+
+epoch 2
+train lattice loss: 3.745815	coord loss: 1.104478
+
+epoch 3
+train lattice loss: 1.824620	coord loss: 1.065009
+
+epoch 4
+train lattice loss: 1.190425	coord loss: 1.037542
+
+epoch 5
+train lattice loss: 0.928119	coord loss: 1.018741
+
+epoch 6
+train lattice loss: 0.848273	coord loss: 1.023920
+
+epoch 7
+train lattice loss: 0.814765	coord loss: 1.006104
+
+epoch 8
+train lattice loss: 0.774993	coord loss: 1.006602
+
+epoch 9
+train lattice loss: 0.762115	coord loss: 1.001882
+
+epoch 10
+train lattice loss: 0.737311	coord loss: 1.007151
+val lattice loss: 0.734063	coord loss: 1.005305
+save model with optimal loss
+
+epoch 11
+train lattice loss: 0.721234	coord loss: 1.002064
+
+epoch 12
+train lattice loss: 0.719987	coord loss: 0.997250
+
+epoch 13
+train lattice loss: 0.719670	coord loss: 1.005992
+
+epoch 14
+train lattice loss: 0.713078	coord loss: 1.004345
+
+epoch 15
+train lattice loss: 0.701057	coord loss: 1.004978
+
+epoch 16
+train lattice loss: 0.701665	coord loss: 1.005150
+
+epoch 17
+train lattice loss: 0.702574	coord loss: 1.000298
+
+epoch 18
+train lattice loss: 0.691586	coord loss: 1.006122
+
+epoch 19
+train lattice loss: 0.685900	coord loss: 1.000115
+
+epoch 20
+train lattice loss: 0.681384	coord loss: 1.003991
+val lattice loss: 0.686480	coord loss: 0.993445
+save model with optimal loss
+
+epoch 21
+train lattice loss: 0.672676	coord loss: 1.002521
+
+epoch 22
+train lattice loss: 0.673149	coord loss: 0.997800
+
+epoch 23
+train lattice loss: 0.661546	coord loss: 1.000134
+
+epoch 24
+train lattice loss: 0.664868	coord loss: 1.006283
+
+epoch 25
+train lattice loss: 0.660338	coord loss: 0.999362
+
+epoch 26
+train lattice loss: 0.652027	coord loss: 0.995094
+
+epoch 27
+train lattice loss: 0.664279	coord loss: 1.002080
+
+epoch 28
+train lattice loss: 0.659317	coord loss: 1.004260
+
+epoch 29
+train lattice loss: 0.655371	coord loss: 1.002192
+
+epoch 30
+train lattice loss: 0.649405	coord loss: 0.991293
+val lattice loss: 0.641754	coord loss: 0.994783
+save model with optimal loss
+
+epoch 31
+train lattice loss: 0.649504	coord loss: 1.003714
+
+epoch 32
+train lattice loss: 0.639054	coord loss: 0.998804
+
+epoch 33
+train lattice loss: 0.639887	coord loss: 1.001917
+
+epoch 34
+train lattice loss: 0.651008	coord loss: 0.995854
+
+epoch 35
+train lattice loss: 0.649804	coord loss: 0.998766
+
+epoch 36
+train lattice loss: 0.636661	coord loss: 1.000541
+
+epoch 37
+train lattice loss: 0.650482	coord loss: 0.996193
+
+epoch 38
+train lattice loss: 0.641268	coord loss: 0.994108
+
+epoch 39
+train lattice loss: 0.642590	coord loss: 0.993468
+
+epoch 40
+train lattice loss: 0.630153	coord loss: 0.997944
+val lattice loss: 0.633550	coord loss: 0.998503
+save model with optimal loss
+
+epoch 41
+train lattice loss: 0.632670	coord loss: 0.996117
+
+epoch 42
+train lattice loss: 0.623972	coord loss: 0.994346
+
+epoch 43
+train lattice loss: 0.636762	coord loss: 0.994209
+
+epoch 44
+train lattice loss: 0.634011	coord loss: 0.992135
+
+epoch 45
+train lattice loss: 0.634555	coord loss: 0.996895
+
+epoch 46
+train lattice loss: 0.627554	coord loss: 0.991847
+
+epoch 47
+train lattice loss: 0.628312	coord loss: 0.993013
+
+epoch 48
+train lattice loss: 0.625891	coord loss: 0.989980
+
+epoch 49
+train lattice loss: 0.632308	coord loss: 0.987071
+
+epoch 50
+train lattice loss: 0.627408	coord loss: 0.981846
+val lattice loss: 0.631549	coord loss: 0.980183
+save model with optimal loss
+
+epoch 51
+train lattice loss: 0.628666	coord loss: 0.985688
+
+epoch 52
+train lattice loss: 0.607422	coord loss: 0.977652
+
+epoch 53
+train lattice loss: 0.634566	coord loss: 0.983114
+
+epoch 54
+train lattice loss: 0.613420	coord loss: 0.991000
+
+epoch 55
+train lattice loss: 0.616798	coord loss: 0.985029
+
+epoch 56
+train lattice loss: 0.610282	coord loss: 0.981177
+
+epoch 57
+train lattice loss: 0.617293	coord loss: 0.980087
+
+epoch 58
+train lattice loss: 0.618990	coord loss: 0.979058
+
+epoch 59
+train lattice loss: 0.616362	coord loss: 0.983277
+
+epoch 60
+train lattice loss: 0.638383	coord loss: 0.978895
+val lattice loss: 0.603186	coord loss: 0.977960
+save model with optimal loss
+
+epoch 61
+train lattice loss: 0.616890	coord loss: 0.984057
+
+epoch 62
+train lattice loss: 0.622240	coord loss: 0.984512
+
+epoch 63
+train lattice loss: 0.619370	coord loss: 0.972240
+
+epoch 64
+train lattice loss: 0.612408	coord loss: 0.979354
+
+epoch 65
+train lattice loss: 0.593136	coord loss: 0.978008
+
+epoch 66
+train lattice loss: 0.604102	coord loss: 0.975055
+
+epoch 67
+train lattice loss: 0.605334	coord loss: 0.980504
+
+epoch 68
+train lattice loss: 0.614825	coord loss: 0.973260
+
+epoch 69
+train lattice loss: 0.595758	coord loss: 0.972871
+
+epoch 70
+train lattice loss: 0.595916	coord loss: 0.976083
+val lattice loss: 0.600418	coord loss: 0.971262
+save model with optimal loss
+
+epoch 71
+train lattice loss: 0.589001	coord loss: 0.970862
+
+epoch 72
+train lattice loss: 0.595760	coord loss: 0.973390
+
+epoch 73
+train lattice loss: 0.602594	coord loss: 0.973325
+
+epoch 74
+train lattice loss: 0.602431	coord loss: 0.975329
+
+epoch 75
+train lattice loss: 0.604988	coord loss: 0.971525
+
+epoch 76
+train lattice loss: 0.610839	coord loss: 0.968766
+
+epoch 77
+train lattice loss: 0.599273	coord loss: 0.979348
+
+epoch 78
+train lattice loss: 0.601755	coord loss: 0.966048
+
+epoch 79
+train lattice loss: 0.605946	coord loss: 0.973899
+
+epoch 80
+train lattice loss: 0.589095	coord loss: 0.968516
+val lattice loss: 0.599044	coord loss: 0.971575
+save model with optimal loss
+
+epoch 81
+train lattice loss: 0.596854	coord loss: 0.971385
+
+epoch 82
+train lattice loss: 0.591842	coord loss: 0.968366
+
+epoch 83
+train lattice loss: 0.587170	coord loss: 0.967926
+
+epoch 84
+train lattice loss: 0.574087	coord loss: 0.972368
+
+epoch 85
+train lattice loss: 0.586804	coord loss: 0.967824
+
+epoch 86
+train lattice loss: 0.600518	coord loss: 0.965657
+
+epoch 87
+train lattice loss: 0.606965	coord loss: 0.968670
+
+epoch 88
+train lattice loss: 0.603233	coord loss: 0.973692
+
+epoch 89
+train lattice loss: 0.600380	coord loss: 0.966616
+
+epoch 90
+train lattice loss: 0.590862	coord loss: 0.968949
+val lattice loss: 0.586839	coord loss: 0.969944
+save model with optimal loss
+
+epoch 91
+train lattice loss: 0.585878	coord loss: 0.971649
+
+epoch 92
+train lattice loss: 0.593191	coord loss: 0.967873
+
+epoch 93
+train lattice loss: 0.586758	coord loss: 0.964200
+
+epoch 94
+train lattice loss: 0.592319	coord loss: 0.967674
+
+epoch 95
+train lattice loss: 0.591934	coord loss: 0.973146
+
+epoch 96
+train lattice loss: 0.584226	coord loss: 0.965802
+
+epoch 97
+train lattice loss: 0.587459	coord loss: 0.970272
+
+epoch 98
+train lattice loss: 0.580728	coord loss: 0.967071
+
+epoch 99
+train lattice loss: 0.577153	coord loss: 0.965460
+
+epoch 100
+train lattice loss: 0.582871	coord loss: 0.966271
+val lattice loss: 0.583756	coord loss: 0.962569
+save model with optimal loss
+
+epoch 101
+train lattice loss: 0.572796	coord loss: 0.967015
+
+epoch 102
+train lattice loss: 0.571673	coord loss: 0.960625
+
+epoch 103
+train lattice loss: 0.565716	coord loss: 0.967710
+
+epoch 104
+train lattice loss: 0.574095	coord loss: 0.959632
+
+epoch 105
+train lattice loss: 0.589011	coord loss: 0.972094
+
+epoch 106
+train lattice loss: 0.577589	coord loss: 0.962948
+
+epoch 107
+train lattice loss: 0.577674	coord loss: 0.965856
+
+epoch 108
+train lattice loss: 0.570305	coord loss: 0.965661
+
+epoch 109
+train lattice loss: 0.577285	coord loss: 0.958836
+
+epoch 110
+train lattice loss: 0.575374	coord loss: 0.960430
+val lattice loss: 0.559048	coord loss: 0.974288
+save model with optimal loss
+
+epoch 111
+train lattice loss: 0.569693	coord loss: 0.967099
+
+epoch 112
+train lattice loss: 0.576884	coord loss: 0.956861
+
+epoch 113
+train lattice loss: 0.567020	coord loss: 0.968196
+
+epoch 114
+train lattice loss: 0.568664	coord loss: 0.959039
+
+epoch 115
+train lattice loss: 0.562282	coord loss: 0.960100
+
+epoch 116
+train lattice loss: 0.569602	coord loss: 0.957680
+
+epoch 117
+train lattice loss: 0.572689	coord loss: 0.956644
+
+epoch 118
+train lattice loss: 0.561598	coord loss: 0.961071
+
+epoch 119
+train lattice loss: 0.554585	coord loss: 0.966196
+
+epoch 120
+train lattice loss: 0.564568	coord loss: 0.957477
+val lattice loss: 0.562121	coord loss: 0.963447
+save model with optimal loss
+
+epoch 121
+train lattice loss: 0.562311	coord loss: 0.959519
+
+epoch 122
+train lattice loss: 0.559545	coord loss: 0.961399
+
+epoch 123
+train lattice loss: 0.551952	coord loss: 0.959162
+
+epoch 124
+train lattice loss: 0.569839	coord loss: 0.955839
+
+epoch 125
+train lattice loss: 0.563055	coord loss: 0.960418
+
+epoch 126
+train lattice loss: 0.567653	coord loss: 0.959133
+
+epoch 127
+train lattice loss: 0.557269	coord loss: 0.957958
+
+epoch 128
+train lattice loss: 0.561191	coord loss: 0.957698
+
+epoch 129
+train lattice loss: 0.551808	coord loss: 0.958329
+
+epoch 130
+train lattice loss: 0.556438	coord loss: 0.954301
+val lattice loss: 0.561389	coord loss: 0.960678
+save model with optimal loss
+
+epoch 131
+train lattice loss: 0.567160	coord loss: 0.958801
+
+epoch 132
+train lattice loss: 0.571469	coord loss: 0.962390
+
+epoch 133
+train lattice loss: 0.563499	coord loss: 0.956819
+
+epoch 134
+train lattice loss: 0.564203	coord loss: 0.962440
+
+epoch 135
+train lattice loss: 0.556121	coord loss: 0.958157
+
+epoch 136
+train lattice loss: 0.554508	coord loss: 0.957604
+
+epoch 137
+train lattice loss: 0.559024	coord loss: 0.962333
+
+epoch 138
+train lattice loss: 0.559304	coord loss: 0.959020
+
+epoch 139
+train lattice loss: 0.560461	coord loss: 0.960058
+
+epoch 140
+train lattice loss: 0.561675	coord loss: 0.961086
+val lattice loss: 0.563033	coord loss: 0.960348
+
+epoch 141
+train lattice loss: 0.562363	coord loss: 0.962143
+
+epoch 142
+train lattice loss: 0.546772	coord loss: 0.955111
+
+epoch 143
+train lattice loss: 0.594654	coord loss: 0.957305
+
+epoch 144
+train lattice loss: 0.564745	coord loss: 0.961529
+
+epoch 145
+train lattice loss: 0.553803	coord loss: 0.963249
+
+epoch 146
+train lattice loss: 0.548685	coord loss: 0.957961
+
+epoch 147
+train lattice loss: 0.550131	coord loss: 0.960970
+
+epoch 148
+train lattice loss: 0.548891	coord loss: 0.958823
+
+epoch 149
+train lattice loss: 0.550869	coord loss: 0.956351
+
+epoch 150
+train lattice loss: 0.544238	coord loss: 0.957172
+val lattice loss: 0.556185	coord loss: 0.952604
+save model with optimal loss
+
+epoch 151
+train lattice loss: 0.556363	coord loss: 0.953152
+
+epoch 152
+train lattice loss: 0.551299	coord loss: 0.961062
+
+epoch 153
+train lattice loss: 0.549898	coord loss: 0.959901
+
+epoch 154
+train lattice loss: 0.542926	coord loss: 0.958721
+
+epoch 155
+train lattice loss: 0.547970	coord loss: 0.955324
+
+epoch 156
+train lattice loss: 0.535035	coord loss: 0.955058
+
+epoch 157
+train lattice loss: 0.548034	coord loss: 0.965338
+
+epoch 158
+train lattice loss: 0.556787	coord loss: 0.948997
+
+epoch 159
+train lattice loss: 0.541291	coord loss: 0.959267
+
+epoch 160
+train lattice loss: 0.548730	coord loss: 0.946626
+val lattice loss: 0.526063	coord loss: 0.962858
+save model with optimal loss
+
+epoch 161
+train lattice loss: 0.548569	coord loss: 0.953536
+
+epoch 162
+train lattice loss: 0.541338	coord loss: 0.950756
+
+epoch 163
+train lattice loss: 0.551265	coord loss: 0.954368
+
+epoch 164
+train lattice loss: 0.560056	coord loss: 0.953856
+
+epoch 165
+train lattice loss: 0.565675	coord loss: 0.956932
+
+epoch 166
+train lattice loss: 0.549682	coord loss: 0.957821
+
+epoch 167
+train lattice loss: 0.549240	coord loss: 0.954790
+
+epoch 168
+train lattice loss: 0.534226	coord loss: 0.954203
+
+epoch 169
+train lattice loss: 0.536818	coord loss: 0.952777
+
+epoch 170
+train lattice loss: 0.534505	coord loss: 0.954448
+val lattice loss: 0.558317	coord loss: 0.946403
+
+epoch 171
+train lattice loss: 0.532361	coord loss: 0.955181
+
+epoch 172
+train lattice loss: 0.536650	coord loss: 0.949588
+
+epoch 173
+train lattice loss: 0.537536	coord loss: 0.950124
+
+epoch 174
+train lattice loss: 0.522629	coord loss: 0.954329
+
+epoch 175
+train lattice loss: 0.530629	coord loss: 0.949309
+
+epoch 176
+train lattice loss: 0.535573	coord loss: 0.952238
+
+epoch 177
+train lattice loss: 0.531516	coord loss: 0.951014
+
+epoch 178
+train lattice loss: 0.534970	coord loss: 0.947365
+
+epoch 179
+train lattice loss: 0.544088	coord loss: 0.952024
+
+epoch 180
+train lattice loss: 0.530342	coord loss: 0.947033
+val lattice loss: 0.535664	coord loss: 0.954525
+
+epoch 181
+train lattice loss: 0.529259	coord loss: 0.950091
+
+epoch 182
+train lattice loss: 0.528842	coord loss: 0.957709
+
+epoch 183
+train lattice loss: 0.529056	coord loss: 0.951881
+
+epoch 184
+train lattice loss: 0.543542	coord loss: 0.947961
+
+epoch 185
+train lattice loss: 0.536189	coord loss: 0.949722
+
+epoch 186
+train lattice loss: 0.542052	coord loss: 0.947898
+
+epoch 187
+train lattice loss: 0.526387	coord loss: 0.953072
+
+epoch 188
+train lattice loss: 0.526870	coord loss: 0.952387
+
+epoch 189
+train lattice loss: 0.542331	coord loss: 0.953766
+
+epoch 190
+train lattice loss: 0.538424	coord loss: 0.950614
+val lattice loss: 0.555326	coord loss: 0.948202
+
+epoch 191
+train lattice loss: 0.545573	coord loss: 0.956442
+
+epoch 192
+train lattice loss: 0.542364	coord loss: 0.952233
+
+epoch 193
+train lattice loss: 0.526866	coord loss: 0.955223
+
+epoch 194
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+val lattice loss: 0.445029	coord loss: 0.768941
+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
+
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+
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+save model with optimal loss
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+save model with optimal loss
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+save model with optimal loss
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+val lattice loss: 0.417773	coord loss: 0.679878
+save model with optimal loss
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+train lattice loss: 0.411248	coord loss: 0.673192
+
+epoch 958
+train lattice loss: 0.411240	coord loss: 0.674224
+
+epoch 959
+train lattice loss: 0.408995	coord loss: 0.689520
+
+epoch 960
+train lattice loss: 0.417619	coord loss: 0.684608
+val lattice loss: 0.414132	coord loss: 0.670716
+save model with optimal loss
+
+epoch 961
+train lattice loss: 0.414883	coord loss: 0.685626
+
+epoch 962
+train lattice loss: 0.414092	coord loss: 0.680742
+
+epoch 963
+train lattice loss: 0.434757	coord loss: 0.673474
+
+epoch 964
+train lattice loss: 0.424048	coord loss: 0.680345
+
+epoch 965
+train lattice loss: 0.428207	coord loss: 0.681877
+
+epoch 966
+train lattice loss: 0.414209	coord loss: 0.682982
+
+epoch 967
+train lattice loss: 0.420112	coord loss: 0.682192
+
+epoch 968
+train lattice loss: 0.416650	coord loss: 0.671326
+
+epoch 969
+train lattice loss: 0.413828	coord loss: 0.677852
+
+epoch 970
+train lattice loss: 0.417996	coord loss: 0.679620
+val lattice loss: 0.411966	coord loss: 0.683468
+
+epoch 971
+train lattice loss: 0.420269	coord loss: 0.679800
+
+epoch 972
+train lattice loss: 0.417725	coord loss: 0.678362
+
+epoch 973
+train lattice loss: 0.416797	coord loss: 0.680872
+
+epoch 974
+train lattice loss: 0.411123	coord loss: 0.680860
+
+epoch 975
+train lattice loss: 0.411901	coord loss: 0.677532
+
+epoch 976
+train lattice loss: 0.417096	coord loss: 0.677052
+
+epoch 977
+train lattice loss: 0.413131	coord loss: 0.670863
+
+epoch 978
+train lattice loss: 0.416549	coord loss: 0.676844
+
+epoch 979
+train lattice loss: 0.413295	coord loss: 0.669396
+
+epoch 980
+train lattice loss: 0.412826	coord loss: 0.674910
+val lattice loss: 0.411604	coord loss: 0.688421
+
+epoch 981
+train lattice loss: 0.412524	coord loss: 0.671906
+
+epoch 982
+train lattice loss: 0.410007	coord loss: 0.673043
+
+epoch 983
+train lattice loss: 0.421162	coord loss: 0.670106
+
+epoch 984
+train lattice loss: 0.418265	coord loss: 0.673351
+
+epoch 985
+train lattice loss: 0.415792	coord loss: 0.675585
+
+epoch 986
+train lattice loss: 0.411508	coord loss: 0.668131
+
+epoch 987
+train lattice loss: 0.410874	coord loss: 0.671801
+
+epoch 988
+train lattice loss: 0.408191	coord loss: 0.671852
+
+epoch 989
+train lattice loss: 0.420427	coord loss: 0.672009
+
+epoch 990
+train lattice loss: 0.426513	coord loss: 0.672927
+val lattice loss: 0.432883	coord loss: 0.680245
+
+epoch 991
+train lattice loss: 0.407853	coord loss: 0.667964
+
+epoch 992
+train lattice loss: 0.409659	coord loss: 0.674617
+
+epoch 993
+train lattice loss: 0.415244	coord loss: 0.671504
+
+epoch 994
+train lattice loss: 0.417565	coord loss: 0.665344
+
+epoch 995
+train lattice loss: 0.413815	coord loss: 0.668616
+
+epoch 996
+train lattice loss: 0.419454	coord loss: 0.661534
+
+epoch 997
+train lattice loss: 0.412735	coord loss: 0.681498
+
+epoch 998
+train lattice loss: 0.411767	coord loss: 0.677848
+
+epoch 999
+train lattice loss: 0.414840	coord loss: 0.668317
+
+epoch 1000
+train lattice loss: 0.419976	coord loss: 0.669637
+val lattice loss: 0.421318	coord loss: 0.666624
+
+
+save model in the last epoch
+
+Loading ...
+batch 0 / 4, sample 0 / 1
+
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+batch 2 / 4, sample 0 / 1
+
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+batch 3 / 4, sample 0 / 1
+
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+batch 2 / 4, sample 0 / 1
+
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+batch 3 / 4, sample 0 / 1
+
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+{'match_rate': 0.17044334975369457, 'rms_dist': 0.39817538990495194}
+end
+Wed 07 Feb 2024 02:02:10 PM EST