File size: 2,574 Bytes
5d988ba
 
 
 
9e6d43a
 
5d988ba
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
9e6d43a
 
5d988ba
 
1c5ca77
5d988ba
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
9e6d43a
5d988ba
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
{
    "trainer_config": {
        "epochs": 2,
        "batch_size": 4,
        "roberta_model_path": "Lucifer-nick/hsqcSmiles",
        "roberta_tokenizer_path": "Lucifer-nick/hsqcSmiles",
        "json_path": "C:\\Users\\Lucifer_Chen\\PycharmProjects\\HSQCNMR\\data\\HSQC_shuffle.json",
        "flag_use_middleware": false,
        "save_path": "C:\\Users\\Lucifer_Chen\\PycharmProjects\\Smart2.0\\models\\",
        "pre_trained_model_smiles": null,
        "pre_trained_model_nmr": null,
        "pre_trained_model_clip": null,
        "start_epoch": 0,
        "use_self_correlation": false,
        "frozen_smiles_model": false,
        "frozen_nmr_model": false,
        "flag_save_cpu_model": false,
        "num_workers": 1,
        "use_nmr_tokenizer": false,
        "use_sample_balancing": false,
        "nmr_model_fn": "hsqc_model_version",
        "loss_fn": null,
        "smile_use_tanh": false,
        "flag_use_big_class": false,
        "class_number": 180,
        "flag_get_idx": false,
        "feature_dim": 768,
        "lr": 0.0001,
        "weight_decay": 0.00001,
        "print_parm": 25,
        "use_dict_loss": true,
        "name": "clip_train_multi_gpus_ori_hpcvolta2_old.py",
        "location": "posix.uname_result(sysname='Linux', nodename='hpcvolta1.ai.lycc.qihoo.net', release='5.8.0-49-generic', version='#55~20.04.1-Ubuntu SMP Fri Mar 26 01:01:07 UTC 2021', machine='x86_64')"
    },
    "model_config": {
        "roberta_model_path": "Lucifer-nick/hsqcSmiles",
        "roberta_tokenizer_path": "Lucifer-nick/hsqcSmiles",
        "flag_use_middleware": false,
        "smiles_maxlen": 300,
        "vocab_size": 50265,
        "max_position_embeddings": 514,
        "num_attention_heads": 12,
        "num_hidden_layers": 12,
        "type_vocab_size": 1,
        "nmr_model_fn": "hsqc_model_version",
        "frozen_smiles_model": false,
        "frozen_nmr_model": false,
        "loss_fn": null,
        "smile_use_tanh": false,
        "flag_use_big_class": false,
        "class_number": 180,
        "feature_dim": 768
    },
    "dataset_config": {
        "json_path": [
            "C:\\Users\\Lucifer_Chen\\PycharmProjects\\HSQCNMR\\data\\HSQC_shuffle.json"
        ],
        "smiles_tokenizer": "Lucifer-nickLucifer-nick/hsqcSmiles",
        "smiles_maxlen": 300,
        "phase": "train",
        "nmr_scale": 10,
        "nmr_min_value": -50,
        "nmr_max_value": 350,
        "nmr_augment_prob": 0.5,
        "nmr_augment_range": 1.5,
        "use_nmr_tokenizer": false,
        "flag_get_idx": false
    }
}