hsqcSmiles / config.json
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Update config.json
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{
"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
}
}