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- data/oof_predictions/T1v5/oof_predictions.csv +0 -0
- models/T1_chemprop/chemprop_finetuned_seed0.pt.state_dict.pt +3 -0
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- models/T2_autogluon_chemeleon/autogluon_fold_0/learner.pkl +3 -0
- models/T2_autogluon_chemeleon/autogluon_fold_0/metadata.json +224 -0
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data/oof_predictions/T1v5/oof_predictions.csv
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models/T2_autogluon_chemeleon/autogluon_fold_0/predictor.pkl
ADDED
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models/T2_autogluon_chemeleon/autogluon_fold_0/version.txt
ADDED
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models/T2_autogluon_chemeleon/autogluon_fold_1/learner.pkl
ADDED
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size 693319
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models/T2_autogluon_chemeleon/autogluon_fold_1/metadata.json
ADDED
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|
| 1 |
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{
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
models/T2_autogluon_chemeleon/autogluon_fold_2/predictor.pkl
ADDED
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version https://git-lfs.github.com/spec/v1
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size 8250
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models/T2_autogluon_chemeleon/autogluon_fold_2/version.txt
ADDED
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models/T2_autogluon_chemeleon/autogluon_fold_3/learner.pkl
ADDED
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version https://git-lfs.github.com/spec/v1
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size 693696
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models/T2_autogluon_chemeleon/autogluon_fold_3/metadata.json
ADDED
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|
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|
| 1 |
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{
|
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|
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|
| 4 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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| 162 |
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"dill": "0.4.1",
|
| 163 |
+
"scipy": "1.16.3",
|
| 164 |
+
"absl-py": "2.4.0",
|
| 165 |
+
"nvidia-cufft": "12.0.0.61",
|
| 166 |
+
"httpcore": "1.0.9",
|
| 167 |
+
"datasets": "4.8.5",
|
| 168 |
+
"async-lru": "2.3.0",
|
| 169 |
+
"isoduration": "20.11.0",
|
| 170 |
+
"urllib3": "2.6.3",
|
| 171 |
+
"json5": "0.14.0",
|
| 172 |
+
"autogluon.features": "1.5.0",
|
| 173 |
+
"jupyter_core": "5.9.1",
|
| 174 |
+
"nvidia-cudnn-cu13": "9.19.0.56",
|
| 175 |
+
"pandocfilters": "1.5.1",
|
| 176 |
+
"jupyter-events": "0.12.1",
|
| 177 |
+
"pillow": "12.2.0",
|
| 178 |
+
"uri-template": "1.3.0",
|
| 179 |
+
"ipython_pygments_lexers": "1.1.1",
|
| 180 |
+
"arrow": "1.4.0",
|
| 181 |
+
"aiohappyeyeballs": "2.6.1",
|
| 182 |
+
"matplotlib-inline": "0.2.1",
|
| 183 |
+
"astartes": "1.3.3",
|
| 184 |
+
"autogluon.common": "1.5.0",
|
| 185 |
+
"cuda-toolkit": "13.0.2",
|
| 186 |
+
"rdkit": "2026.3.1",
|
| 187 |
+
"click": "8.3.3",
|
| 188 |
+
"mhfp": "1.9.6",
|
| 189 |
+
"pydantic-settings": "2.14.0",
|
| 190 |
+
"seaborn": "0.13.2",
|
| 191 |
+
"eval_type_backport": "0.3.1",
|
| 192 |
+
"mmtf-python": "1.1.3",
|
| 193 |
+
"stack-data": "0.6.3",
|
| 194 |
+
"grpcio": "1.80.0",
|
| 195 |
+
"werkzeug": "3.1.8",
|
| 196 |
+
"argon2-cffi-bindings": "25.1.0",
|
| 197 |
+
"jmespath": "1.1.0",
|
| 198 |
+
"six": "1.17.0",
|
| 199 |
+
"mistune": "3.2.1",
|
| 200 |
+
"protobuf": "7.34.1",
|
| 201 |
+
"nbformat": "5.10.4",
|
| 202 |
+
"msgpack": "1.1.2",
|
| 203 |
+
"argon2-cffi": "25.1.0",
|
| 204 |
+
"graphviz": "0.21",
|
| 205 |
+
"mda-xdrlib": "0.2.0",
|
| 206 |
+
"useful_rdkit_utils": "0.97",
|
| 207 |
+
"nvidia-ml-py": "13.595.45",
|
| 208 |
+
"anyio": "4.13.0",
|
| 209 |
+
"tzdata": "2026.2",
|
| 210 |
+
"biotraj": "1.2.2",
|
| 211 |
+
"decorator": "5.2.1",
|
| 212 |
+
"pygments": "2.20.0",
|
| 213 |
+
"aiohttp": "3.13.5",
|
| 214 |
+
"xgboost": "3.1.3",
|
| 215 |
+
"jupyterlab_server": "2.28.0",
|
| 216 |
+
"rich": "15.0.0",
|
| 217 |
+
"cffi": "2.0.0",
|
| 218 |
+
"tensorboard": "2.20.0",
|
| 219 |
+
"defusedxml": "0.7.1",
|
| 220 |
+
"pytz": "2026.2",
|
| 221 |
+
"notebook_shim": "0.2.4",
|
| 222 |
+
"safetensors": "0.7.0",
|
| 223 |
+
"typing-inspection": "0.4.2",
|
| 224 |
+
"addict": "2.4.0",
|
| 225 |
+
"narwhals": "2.20.0",
|
| 226 |
+
"beautifulsoup4": "4.14.3",
|
| 227 |
+
"antlr4-python3-runtime": "4.9.3",
|
| 228 |
+
"setuptools": "81.0.0",
|
| 229 |
+
"contourpy": "1.3.3",
|
| 230 |
+
"nvidia-cuda-runtime": "13.0.96",
|
| 231 |
+
"frozenlist": "1.8.0",
|
| 232 |
+
"s3transfer": "0.17.0",
|
| 233 |
+
"sympy": "1.14.0",
|
| 234 |
+
"jupyterlab_pygments": "0.3.0",
|
| 235 |
+
"httpx": "0.28.1",
|
| 236 |
+
"jsonpointer": "3.1.1",
|
| 237 |
+
"backoff": "2.2.1"
|
| 238 |
+
}
|
| 239 |
+
}
|
models/T2_autogluon_chemeleon/autogluon_fold_3/predictor.pkl
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:74cbc27b94d0740630bb6ca30bed536cac501879ae0de939521793b3f128eb5f
|
| 3 |
+
size 8250
|
models/T2_autogluon_chemeleon/autogluon_fold_3/version.txt
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
1.5.0
|