default CDDD model
Browse files- .gitattributes +2 -0
- encoders/cddd/__init__.py +0 -0
- encoders/cddd/checkpoint +2 -0
- encoders/cddd/eval_qsar.csv +0 -0
- encoders/cddd/eval_reconstruct.csv +0 -0
- encoders/cddd/hparams.json +1 -0
- encoders/cddd/model.ckpt.data-00000-of-00001 +3 -0
- encoders/cddd/model.ckpt.index +0 -0
- encoders/cddd/model.ckpt.meta +3 -0
.gitattributes
CHANGED
|
@@ -33,3 +33,5 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
|
|
| 33 |
*.zst filter=lfs diff=lfs merge=lfs -text
|
| 34 |
*tfevents* filter=lfs diff=lfs merge=lfs -text
|
| 35 |
hyperpcm.t7 filter=lfs diff=lfs merge=lfs -text
|
|
|
|
|
|
|
|
|
| 33 |
*.zst filter=lfs diff=lfs merge=lfs -text
|
| 34 |
*tfevents* filter=lfs diff=lfs merge=lfs -text
|
| 35 |
hyperpcm.t7 filter=lfs diff=lfs merge=lfs -text
|
| 36 |
+
encoders/cddd/model.ckpt.data-00000-of-00001 filter=lfs diff=lfs merge=lfs -text
|
| 37 |
+
encoders/cddd/model.ckpt.meta filter=lfs diff=lfs merge=lfs -text
|
encoders/cddd/__init__.py
ADDED
|
File without changes
|
encoders/cddd/checkpoint
ADDED
|
@@ -0,0 +1,2 @@
|
|
|
|
|
|
|
|
|
|
| 1 |
+
model_checkpoint_path: "model.ckpt"
|
| 2 |
+
all_model_checkpoint_paths: "model.ckpt"
|
encoders/cddd/eval_qsar.csv
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
encoders/cddd/eval_reconstruct.csv
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
encoders/cddd/hparams.json
ADDED
|
@@ -0,0 +1 @@
|
|
|
|
|
|
|
| 1 |
+
"{\"num_steps\": 100000000, \"buffer_size\": 10000, \"conv_hidden_size\": [128], \"overwrite_saves\": false, \"num_features\": 7, \"num_buckets\": 8.0, \"lr_decay_factor\": 0.9, \"model\": \"NoisyGRUSeq2SeqWithFeatures\", \"allow_soft_placement\": true, \"kernel_size\": [2], \"summary_freq\": 1000, \"lr\": 0.0002, \"max_bucket_length\": 60.0, \"train_file\": \"../data/pretrain_dataset.tfrecords\", \"lr_decay_frequency\": 50000, \"char_embedding_size\": 32, \"val_file\": \"../data/pretrain_dataset_val.tfrecords\", \"input_pipeline\": \"InputPipelineWithFeatures\", \"device\": \"2\", \"reverse_decoding\": false, \"infer_input\": \"canonical\", \"emb_noise\": 0.05, \"cell_size\": [512, 1024, 2048], \"output_sequence_key\": \"canonical_smiles\", \"gpu_mem_frac\": 0.45, \"infer_file\": \"../data/val_dataset_preprocessed3.csv\", \"input_sequence_key\": \"random_smiles\", \"lr_decay\": true, \"rand_input_swap\": true, \"inference_freq\": 5000, \"input_dropout\": 0.15, \"save_dir\": \"saves/run3_emb_512_5\", \"min_bucket_length\": 20.0, \"emb_size\": 512, \"cpu_threads\": 5, \"emb_activation\": \"tanh\", \"batch_size\": 64}"
|
encoders/cddd/model.ckpt.data-00000-of-00001
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:146045b0a471e305691042abd3f095969288b79840c2c70e2bb0edd3edf9cfab
|
| 3 |
+
size 635581536
|
encoders/cddd/model.ckpt.index
ADDED
|
Binary file (4.5 kB). View file
|
|
|
encoders/cddd/model.ckpt.meta
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:4e70c1342af2a8d2f8217469ca5b7e103879f6ce88807598646e1002b6e729fc
|
| 3 |
+
size 1058644
|