Training in progress, step 5000, checkpoint
Browse files
last-checkpoint/model.safetensors
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 409608164
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ef49e8f550cab783de7a0ba94f48c1f7540809bf316b953689dd80be1a5dd39a
|
| 3 |
size 409608164
|
last-checkpoint/optimizer.pt
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 814647162
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:1fa9696a1cc6991b07a657bebe540a630458ccc038ac0c9a9107832507d142ed
|
| 3 |
size 814647162
|
last-checkpoint/rng_state.pth
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 14244
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:da000c9e378f4a1d47259777e81cf5543a01e26fac996b3222d393e65ab9bfec
|
| 3 |
size 14244
|
last-checkpoint/scheduler.pt
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 1064
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:2e531f97d95afebd39a8f25f638079450f8fd8f16cc178cd6d0e1cd555754a19
|
| 3 |
size 1064
|
last-checkpoint/trainer_state.json
CHANGED
|
@@ -1,278 +1,124 @@
|
|
| 1 |
{
|
| 2 |
-
"best_metric": 0.
|
| 3 |
-
"best_model_checkpoint": "/mimer/NOBACKUP/groups/naiss2023-6-290/stefano/models//PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts-opt25/trial-number=
|
| 4 |
-
"epoch": 0.
|
| 5 |
"eval_steps": 2500,
|
| 6 |
-
"global_step":
|
| 7 |
"is_hyper_param_search": true,
|
| 8 |
"is_local_process_zero": true,
|
| 9 |
"is_world_process_zero": true,
|
| 10 |
"log_history": [
|
| 11 |
{
|
| 12 |
"epoch": 0.049319392385085814,
|
| 13 |
-
"grad_norm":
|
| 14 |
-
"learning_rate":
|
| 15 |
-
"loss":
|
| 16 |
"step": 500
|
| 17 |
},
|
| 18 |
{
|
| 19 |
"epoch": 0.09863878477017163,
|
| 20 |
-
"grad_norm":
|
| 21 |
-
"learning_rate":
|
| 22 |
-
"loss":
|
| 23 |
"step": 1000
|
| 24 |
},
|
| 25 |
{
|
| 26 |
"epoch": 0.14795817715525744,
|
| 27 |
-
"grad_norm":
|
| 28 |
-
"learning_rate": 1.
|
| 29 |
-
"loss":
|
| 30 |
"step": 1500
|
| 31 |
},
|
| 32 |
{
|
| 33 |
"epoch": 0.19727756954034326,
|
| 34 |
-
"grad_norm":
|
| 35 |
-
"learning_rate":
|
| 36 |
-
"loss":
|
| 37 |
"step": 2000
|
| 38 |
},
|
| 39 |
{
|
| 40 |
"epoch": 0.24659696192542907,
|
| 41 |
-
"grad_norm":
|
| 42 |
-
"learning_rate":
|
| 43 |
-
"loss": 0.
|
| 44 |
"step": 2500
|
| 45 |
},
|
| 46 |
{
|
| 47 |
"epoch": 0.2959163543105149,
|
| 48 |
-
"grad_norm":
|
| 49 |
-
"learning_rate":
|
| 50 |
-
"loss": 0.
|
| 51 |
"step": 3000
|
| 52 |
},
|
| 53 |
{
|
| 54 |
"epoch": 0.3452357466956007,
|
| 55 |
-
"grad_norm":
|
| 56 |
-
"learning_rate":
|
| 57 |
-
"loss": 0.
|
| 58 |
"step": 3500
|
| 59 |
},
|
| 60 |
{
|
| 61 |
"epoch": 0.3945551390806865,
|
| 62 |
-
"grad_norm":
|
| 63 |
-
"learning_rate": 1.
|
| 64 |
-
"loss": 0.
|
| 65 |
"step": 4000
|
| 66 |
},
|
| 67 |
{
|
| 68 |
"epoch": 0.4438745314657723,
|
| 69 |
-
"grad_norm":
|
| 70 |
-
"learning_rate":
|
| 71 |
-
"loss": 0.
|
| 72 |
"step": 4500
|
| 73 |
},
|
| 74 |
{
|
| 75 |
"epoch": 0.49319392385085814,
|
| 76 |
-
"grad_norm":
|
| 77 |
-
"learning_rate": 4.
|
| 78 |
-
"loss": 0.
|
| 79 |
"step": 5000
|
| 80 |
},
|
| 81 |
{
|
| 82 |
"epoch": 0.49319392385085814,
|
| 83 |
-
"eval_all_ligands_equal": 0.
|
| 84 |
-
"eval_e3_equal": 0.
|
| 85 |
"eval_e3_graph_edit_distance": 9.999999999999999e+63,
|
| 86 |
"eval_e3_graph_edit_distance_norm": 1.0,
|
| 87 |
-
"eval_e3_has_attachment_point(s)": 0.
|
| 88 |
-
"eval_e3_heavy_atoms_difference":
|
| 89 |
-
"eval_e3_heavy_atoms_difference_norm": 0.
|
| 90 |
"eval_e3_tanimoto_similarity": 0.0,
|
| 91 |
-
"eval_e3_valid": 0.
|
| 92 |
-
"eval_has_all_attachment_points": 0.
|
| 93 |
-
"eval_has_three_substructures": 0.
|
| 94 |
-
"eval_heavy_atoms_difference":
|
| 95 |
-
"eval_heavy_atoms_difference_norm": 0.
|
| 96 |
-
"eval_linker_equal": 0.
|
| 97 |
"eval_linker_graph_edit_distance": 9.999999999999999e+63,
|
| 98 |
"eval_linker_graph_edit_distance_norm": 1.0,
|
| 99 |
-
"eval_linker_has_attachment_point(s)": 0.
|
| 100 |
-
"eval_linker_heavy_atoms_difference":
|
| 101 |
-
"eval_linker_heavy_atoms_difference_norm": 0.
|
| 102 |
"eval_linker_tanimoto_similarity": 0.0,
|
| 103 |
-
"eval_linker_valid": 0.
|
| 104 |
-
"eval_loss": 0.
|
| 105 |
-
"eval_num_fragments": 3.
|
| 106 |
-
"eval_poi_equal": 0.
|
| 107 |
"eval_poi_graph_edit_distance": 9.999999999999999e+63,
|
| 108 |
"eval_poi_graph_edit_distance_norm": 1.0,
|
| 109 |
-
"eval_poi_has_attachment_point(s)": 0.
|
| 110 |
-
"eval_poi_heavy_atoms_difference":
|
| 111 |
-
"eval_poi_heavy_atoms_difference_norm": 0.
|
| 112 |
"eval_poi_tanimoto_similarity": 0.0,
|
| 113 |
-
"eval_poi_valid": 0.
|
| 114 |
-
"eval_reassembly": 0.
|
| 115 |
-
"eval_reassembly_nostereo": 0.
|
| 116 |
-
"eval_runtime":
|
| 117 |
-
"eval_samples_per_second":
|
| 118 |
-
"eval_steps_per_second": 0.
|
| 119 |
"eval_tanimoto_similarity": 0.0,
|
| 120 |
-
"eval_valid": 0.
|
| 121 |
"step": 5000
|
| 122 |
-
},
|
| 123 |
-
{
|
| 124 |
-
"epoch": 0.542513316235944,
|
| 125 |
-
"grad_norm": 1.1991398334503174,
|
| 126 |
-
"learning_rate": 1.5828157639979357e-06,
|
| 127 |
-
"loss": 0.7666,
|
| 128 |
-
"step": 5500
|
| 129 |
-
},
|
| 130 |
-
{
|
| 131 |
-
"epoch": 0.5918327086210298,
|
| 132 |
-
"grad_norm": 1.2663832902908325,
|
| 133 |
-
"learning_rate": 1.473107625487659e-06,
|
| 134 |
-
"loss": 0.6824,
|
| 135 |
-
"step": 6000
|
| 136 |
-
},
|
| 137 |
-
{
|
| 138 |
-
"epoch": 0.6411521010061156,
|
| 139 |
-
"grad_norm": 1.2193111181259155,
|
| 140 |
-
"learning_rate": 1.296960161557218e-06,
|
| 141 |
-
"loss": 0.6184,
|
| 142 |
-
"step": 6500
|
| 143 |
-
},
|
| 144 |
-
{
|
| 145 |
-
"epoch": 0.6904714933912014,
|
| 146 |
-
"grad_norm": 1.3224248886108398,
|
| 147 |
-
"learning_rate": 1.071963064180241e-06,
|
| 148 |
-
"loss": 0.5711,
|
| 149 |
-
"step": 7000
|
| 150 |
-
},
|
| 151 |
-
{
|
| 152 |
-
"epoch": 0.7397908857762873,
|
| 153 |
-
"grad_norm": 1.1388825178146362,
|
| 154 |
-
"learning_rate": 8.205840405238564e-07,
|
| 155 |
-
"loss": 0.5359,
|
| 156 |
-
"step": 7500
|
| 157 |
-
},
|
| 158 |
-
{
|
| 159 |
-
"epoch": 0.7397908857762873,
|
| 160 |
-
"eval_all_ligands_equal": 8.837825894829872e-05,
|
| 161 |
-
"eval_e3_equal": 0.07414935925762263,
|
| 162 |
-
"eval_e3_graph_edit_distance": 9.999999999999999e+63,
|
| 163 |
-
"eval_e3_graph_edit_distance_norm": 1.0,
|
| 164 |
-
"eval_e3_has_attachment_point(s)": 0.9784357048166151,
|
| 165 |
-
"eval_e3_heavy_atoms_difference": -0.01643835616438356,
|
| 166 |
-
"eval_e3_heavy_atoms_difference_norm": -0.041997529417292574,
|
| 167 |
-
"eval_e3_tanimoto_similarity": 0.0,
|
| 168 |
-
"eval_e3_valid": 0.9784357048166151,
|
| 169 |
-
"eval_has_all_attachment_points": 0.7959346000883782,
|
| 170 |
-
"eval_has_three_substructures": 0.9798497569597879,
|
| 171 |
-
"eval_heavy_atoms_difference": 59.51330092797172,
|
| 172 |
-
"eval_heavy_atoms_difference_norm": 0.7667716663424441,
|
| 173 |
-
"eval_linker_equal": 0.0017675651789659744,
|
| 174 |
-
"eval_linker_graph_edit_distance": 9.999999999999999e+63,
|
| 175 |
-
"eval_linker_graph_edit_distance_norm": 1.0,
|
| 176 |
-
"eval_linker_has_attachment_point(s)": 0.9551922227132126,
|
| 177 |
-
"eval_linker_heavy_atoms_difference": 7.438002651347769,
|
| 178 |
-
"eval_linker_heavy_atoms_difference_norm": 0.3411107847976279,
|
| 179 |
-
"eval_linker_tanimoto_similarity": 0.0,
|
| 180 |
-
"eval_linker_valid": 0.9551922227132126,
|
| 181 |
-
"eval_loss": 0.6140255928039551,
|
| 182 |
-
"eval_num_fragments": 3.007423773751657,
|
| 183 |
-
"eval_poi_equal": 0.005921343349536014,
|
| 184 |
-
"eval_poi_graph_edit_distance": 9.999999999999999e+63,
|
| 185 |
-
"eval_poi_graph_edit_distance_norm": 1.0,
|
| 186 |
-
"eval_poi_has_attachment_point(s)": 0.3249668581528944,
|
| 187 |
-
"eval_poi_heavy_atoms_difference": 24.587361908970394,
|
| 188 |
-
"eval_poi_heavy_atoms_difference_norm": 0.7407628377914883,
|
| 189 |
-
"eval_poi_tanimoto_similarity": 0.0,
|
| 190 |
-
"eval_poi_valid": 0.3249668581528944,
|
| 191 |
-
"eval_reassembly": 8.837825894829872e-05,
|
| 192 |
-
"eval_reassembly_nostereo": 8.837825894829872e-05,
|
| 193 |
-
"eval_runtime": 1405.5464,
|
| 194 |
-
"eval_samples_per_second": 8.05,
|
| 195 |
-
"eval_steps_per_second": 0.126,
|
| 196 |
-
"eval_tanimoto_similarity": 0.0,
|
| 197 |
-
"eval_valid": 0.3149801148917366,
|
| 198 |
-
"step": 7500
|
| 199 |
-
},
|
| 200 |
-
{
|
| 201 |
-
"epoch": 0.789110278161373,
|
| 202 |
-
"grad_norm": 1.2519776821136475,
|
| 203 |
-
"learning_rate": 5.679252379371353e-07,
|
| 204 |
-
"loss": 0.5131,
|
| 205 |
-
"step": 8000
|
| 206 |
-
},
|
| 207 |
-
{
|
| 208 |
-
"epoch": 0.8384296705464589,
|
| 209 |
-
"grad_norm": 1.2744039297103882,
|
| 210 |
-
"learning_rate": 3.392165996322104e-07,
|
| 211 |
-
"loss": 0.4951,
|
| 212 |
-
"step": 8500
|
| 213 |
-
},
|
| 214 |
-
{
|
| 215 |
-
"epoch": 0.8877490629315447,
|
| 216 |
-
"grad_norm": 0.9478299617767334,
|
| 217 |
-
"learning_rate": 1.5729645895619162e-07,
|
| 218 |
-
"loss": 0.4866,
|
| 219 |
-
"step": 9000
|
| 220 |
-
},
|
| 221 |
-
{
|
| 222 |
-
"epoch": 0.9370684553166305,
|
| 223 |
-
"grad_norm": 1.2296202182769775,
|
| 224 |
-
"learning_rate": 4.033095447780681e-08,
|
| 225 |
-
"loss": 0.4822,
|
| 226 |
-
"step": 9500
|
| 227 |
-
},
|
| 228 |
-
{
|
| 229 |
-
"epoch": 0.9863878477017163,
|
| 230 |
-
"grad_norm": 1.018215537071228,
|
| 231 |
-
"learning_rate": 0.0,
|
| 232 |
-
"loss": 0.4806,
|
| 233 |
-
"step": 10000
|
| 234 |
-
},
|
| 235 |
-
{
|
| 236 |
-
"epoch": 0.9863878477017163,
|
| 237 |
-
"eval_all_ligands_equal": 0.0,
|
| 238 |
-
"eval_e3_equal": 0.08387096774193549,
|
| 239 |
-
"eval_e3_graph_edit_distance": 9.999999999999999e+63,
|
| 240 |
-
"eval_e3_graph_edit_distance_norm": 1.0,
|
| 241 |
-
"eval_e3_has_attachment_point(s)": 0.9821475916924437,
|
| 242 |
-
"eval_e3_heavy_atoms_difference": -0.6608926204153778,
|
| 243 |
-
"eval_e3_heavy_atoms_difference_norm": -0.06311356185857149,
|
| 244 |
-
"eval_e3_tanimoto_similarity": 0.0,
|
| 245 |
-
"eval_e3_valid": 0.9821475916924437,
|
| 246 |
-
"eval_has_all_attachment_points": 0.7999116217410517,
|
| 247 |
-
"eval_has_three_substructures": 0.9835616438356164,
|
| 248 |
-
"eval_heavy_atoms_difference": 55.602032699955814,
|
| 249 |
-
"eval_heavy_atoms_difference_norm": 0.7141083957383162,
|
| 250 |
-
"eval_linker_equal": 0.0016791869200176756,
|
| 251 |
-
"eval_linker_graph_edit_distance": 9.999999999999999e+63,
|
| 252 |
-
"eval_linker_graph_edit_distance_norm": 1.0,
|
| 253 |
-
"eval_linker_has_attachment_point(s)": 0.9660627485638533,
|
| 254 |
-
"eval_linker_heavy_atoms_difference": 7.421387538665488,
|
| 255 |
-
"eval_linker_heavy_atoms_difference_norm": 0.34276215918626973,
|
| 256 |
-
"eval_linker_tanimoto_similarity": 0.0,
|
| 257 |
-
"eval_linker_valid": 0.9660627485638533,
|
| 258 |
-
"eval_loss": 0.5785325169563293,
|
| 259 |
-
"eval_num_fragments": 3.004065399911622,
|
| 260 |
-
"eval_poi_equal": 0.011135660627485638,
|
| 261 |
-
"eval_poi_graph_edit_distance": 9.999999999999999e+63,
|
| 262 |
-
"eval_poi_graph_edit_distance_norm": 1.0,
|
| 263 |
-
"eval_poi_has_attachment_point(s)": 0.3761378700839593,
|
| 264 |
-
"eval_poi_heavy_atoms_difference": 22.859920459566947,
|
| 265 |
-
"eval_poi_heavy_atoms_difference_norm": 0.6843588799912407,
|
| 266 |
-
"eval_poi_tanimoto_similarity": 0.0,
|
| 267 |
-
"eval_poi_valid": 0.3761378700839593,
|
| 268 |
-
"eval_reassembly": 0.0,
|
| 269 |
-
"eval_reassembly_nostereo": 0.0,
|
| 270 |
-
"eval_runtime": 1402.5909,
|
| 271 |
-
"eval_samples_per_second": 8.067,
|
| 272 |
-
"eval_steps_per_second": 0.126,
|
| 273 |
-
"eval_tanimoto_similarity": 0.0,
|
| 274 |
-
"eval_valid": 0.36897923110914715,
|
| 275 |
-
"step": 10000
|
| 276 |
}
|
| 277 |
],
|
| 278 |
"logging_steps": 500,
|
|
@@ -287,17 +133,17 @@
|
|
| 287 |
"should_evaluate": false,
|
| 288 |
"should_log": false,
|
| 289 |
"should_save": true,
|
| 290 |
-
"should_training_stop":
|
| 291 |
},
|
| 292 |
"attributes": {}
|
| 293 |
}
|
| 294 |
},
|
| 295 |
-
"total_flos":
|
| 296 |
"train_batch_size": 128,
|
| 297 |
-
"trial_name": "trial-number=
|
| 298 |
"trial_params": {
|
| 299 |
-
"learning_rate":
|
| 300 |
-
"num_cycles":
|
| 301 |
-
"warmup_ratio": 0.
|
| 302 |
}
|
| 303 |
}
|
|
|
|
| 1 |
{
|
| 2 |
+
"best_metric": 0.4987185152452497,
|
| 3 |
+
"best_model_checkpoint": "/mimer/NOBACKUP/groups/naiss2023-6-290/stefano/models//PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts-opt25/trial-number=22-learning_rate=7.8e-05-warmup_ratio=0.050-num_cycles=7/checkpoint-5000",
|
| 4 |
+
"epoch": 0.49319392385085814,
|
| 5 |
"eval_steps": 2500,
|
| 6 |
+
"global_step": 5000,
|
| 7 |
"is_hyper_param_search": true,
|
| 8 |
"is_local_process_zero": true,
|
| 9 |
"is_world_process_zero": true,
|
| 10 |
"log_history": [
|
| 11 |
{
|
| 12 |
"epoch": 0.049319392385085814,
|
| 13 |
+
"grad_norm": 0.6311352849006653,
|
| 14 |
+
"learning_rate": 6.321657849706081e-05,
|
| 15 |
+
"loss": 1.1975,
|
| 16 |
"step": 500
|
| 17 |
},
|
| 18 |
{
|
| 19 |
"epoch": 0.09863878477017163,
|
| 20 |
+
"grad_norm": 0.3875294029712677,
|
| 21 |
+
"learning_rate": 2.266437844344336e-05,
|
| 22 |
+
"loss": 0.1246,
|
| 23 |
"step": 1000
|
| 24 |
},
|
| 25 |
{
|
| 26 |
"epoch": 0.14795817715525744,
|
| 27 |
+
"grad_norm": 0.31023937463760376,
|
| 28 |
+
"learning_rate": 1.9519067734396335e-08,
|
| 29 |
+
"loss": 0.0683,
|
| 30 |
"step": 1500
|
| 31 |
},
|
| 32 |
{
|
| 33 |
"epoch": 0.19727756954034326,
|
| 34 |
+
"grad_norm": 0.28427359461784363,
|
| 35 |
+
"learning_rate": 5.707999615476073e-05,
|
| 36 |
+
"loss": 0.0528,
|
| 37 |
"step": 2000
|
| 38 |
},
|
| 39 |
{
|
| 40 |
"epoch": 0.24659696192542907,
|
| 41 |
+
"grad_norm": 0.22120411694049835,
|
| 42 |
+
"learning_rate": 1.6281206903827376e-05,
|
| 43 |
+
"loss": 0.0246,
|
| 44 |
"step": 2500
|
| 45 |
},
|
| 46 |
{
|
| 47 |
"epoch": 0.2959163543105149,
|
| 48 |
+
"grad_norm": 0.25376608967781067,
|
| 49 |
+
"learning_rate": 7.705306860082544e-05,
|
| 50 |
+
"loss": 0.0182,
|
| 51 |
"step": 3000
|
| 52 |
},
|
| 53 |
{
|
| 54 |
"epoch": 0.3452357466956007,
|
| 55 |
+
"grad_norm": 0.1665523201227188,
|
| 56 |
+
"learning_rate": 5.028164398882772e-05,
|
| 57 |
+
"loss": 0.0197,
|
| 58 |
"step": 3500
|
| 59 |
},
|
| 60 |
{
|
| 61 |
"epoch": 0.3945551390806865,
|
| 62 |
+
"grad_norm": 0.1313042938709259,
|
| 63 |
+
"learning_rate": 1.0710840084315767e-05,
|
| 64 |
+
"loss": 0.0104,
|
| 65 |
"step": 4000
|
| 66 |
},
|
| 67 |
{
|
| 68 |
"epoch": 0.4438745314657723,
|
| 69 |
+
"grad_norm": 0.2163771092891693,
|
| 70 |
+
"learning_rate": 7.52019442839167e-05,
|
| 71 |
+
"loss": 0.0097,
|
| 72 |
"step": 4500
|
| 73 |
},
|
| 74 |
{
|
| 75 |
"epoch": 0.49319392385085814,
|
| 76 |
+
"grad_norm": 0.12024851143360138,
|
| 77 |
+
"learning_rate": 4.306723215947234e-05,
|
| 78 |
+
"loss": 0.0118,
|
| 79 |
"step": 5000
|
| 80 |
},
|
| 81 |
{
|
| 82 |
"epoch": 0.49319392385085814,
|
| 83 |
+
"eval_all_ligands_equal": 0.4987185152452497,
|
| 84 |
+
"eval_e3_equal": 0.7911621741051701,
|
| 85 |
"eval_e3_graph_edit_distance": 9.999999999999999e+63,
|
| 86 |
"eval_e3_graph_edit_distance_norm": 1.0,
|
| 87 |
+
"eval_e3_has_attachment_point(s)": 0.9909854175872735,
|
| 88 |
+
"eval_e3_heavy_atoms_difference": 0.5697746354396819,
|
| 89 |
+
"eval_e3_heavy_atoms_difference_norm": 0.013845663202264,
|
| 90 |
"eval_e3_tanimoto_similarity": 0.0,
|
| 91 |
+
"eval_e3_valid": 0.9909854175872735,
|
| 92 |
+
"eval_has_all_attachment_points": 0.9860362350861688,
|
| 93 |
+
"eval_has_three_substructures": 0.9984091913389306,
|
| 94 |
+
"eval_heavy_atoms_difference": 6.771895713654441,
|
| 95 |
+
"eval_heavy_atoms_difference_norm": 0.0888871888240822,
|
| 96 |
+
"eval_linker_equal": 0.7210782147591692,
|
| 97 |
"eval_linker_graph_edit_distance": 9.999999999999999e+63,
|
| 98 |
"eval_linker_graph_edit_distance_norm": 1.0,
|
| 99 |
+
"eval_linker_has_attachment_point(s)": 0.9970835174547061,
|
| 100 |
+
"eval_linker_heavy_atoms_difference": 0.5161290322580645,
|
| 101 |
+
"eval_linker_heavy_atoms_difference_norm": 0.006289913322434787,
|
| 102 |
"eval_linker_tanimoto_similarity": 0.0,
|
| 103 |
+
"eval_linker_valid": 0.9970835174547061,
|
| 104 |
+
"eval_loss": 0.2860860526561737,
|
| 105 |
+
"eval_num_fragments": 3.0001767565178965,
|
| 106 |
+
"eval_poi_equal": 0.7388422448077773,
|
| 107 |
"eval_poi_graph_edit_distance": 9.999999999999999e+63,
|
| 108 |
"eval_poi_graph_edit_distance_norm": 1.0,
|
| 109 |
+
"eval_poi_has_attachment_point(s)": 0.9325673884224481,
|
| 110 |
+
"eval_poi_heavy_atoms_difference": 2.120724701723376,
|
| 111 |
+
"eval_poi_heavy_atoms_difference_norm": 0.06647977641739568,
|
| 112 |
"eval_poi_tanimoto_similarity": 0.0,
|
| 113 |
+
"eval_poi_valid": 0.9325673884224481,
|
| 114 |
+
"eval_reassembly": 0.5070260715863898,
|
| 115 |
+
"eval_reassembly_nostereo": 0.5330976579761378,
|
| 116 |
+
"eval_runtime": 1575.5066,
|
| 117 |
+
"eval_samples_per_second": 7.182,
|
| 118 |
+
"eval_steps_per_second": 0.112,
|
| 119 |
"eval_tanimoto_similarity": 0.0,
|
| 120 |
+
"eval_valid": 0.9245249668581529,
|
| 121 |
"step": 5000
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 122 |
}
|
| 123 |
],
|
| 124 |
"logging_steps": 500,
|
|
|
|
| 133 |
"should_evaluate": false,
|
| 134 |
"should_log": false,
|
| 135 |
"should_save": true,
|
| 136 |
+
"should_training_stop": false
|
| 137 |
},
|
| 138 |
"attributes": {}
|
| 139 |
}
|
| 140 |
},
|
| 141 |
+
"total_flos": 4.33139477262336e+16,
|
| 142 |
"train_batch_size": 128,
|
| 143 |
+
"trial_name": "trial-number=22-learning_rate=7.8e-05-warmup_ratio=0.050-num_cycles=7",
|
| 144 |
"trial_params": {
|
| 145 |
+
"learning_rate": 7.754006328430222e-05,
|
| 146 |
+
"num_cycles": 7,
|
| 147 |
+
"warmup_ratio": 0.05
|
| 148 |
}
|
| 149 |
}
|
last-checkpoint/training_args.bin
CHANGED
|
@@ -1,3 +1,3 @@
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
-
oid sha256:
|
| 3 |
size 7480
|
|
|
|
| 1 |
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ba024ca1598855de20b7dedcadbcfc630c71b61849b062104d468853b275667a
|
| 3 |
size 7480
|