Tyrisonase_test_model_800_8epoch_wd_0.005

SentenceTransformer based on google-bert/bert-base-cased

This is a sentence-transformers model finetuned from google-bert/bert-base-cased on the csv dataset. It maps sentences & paragraphs to a 768-dimensional dense vector space and can be used for semantic textual similarity, semantic search, paraphrase mining, text classification, clustering, and more.

Model Details

Model Description

• Model Type: Sentence Transformer
• Base model: google-bert/bert-base-cased <!-- at revision cd5ef92a9fb2f889e972770a36d4ed042daf221e -->
• Maximum Sequence Length: 512 tokens
• Output Dimensionality: 768 dimensions
• Similarity Function: Cosine Similarity
• Training Dataset:
  • csv

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Model Sources

• Documentation: Sentence Transformers Documentation
• Repository: Sentence Transformers on GitHub
• Hugging Face: Sentence Transformers on Hugging Face

Full Model Architecture

SentenceTransformer(
  (0): Transformer({'max_seq_length': 512, 'do_lower_case': False, 'architecture': 'BertModel'})
  (1): Pooling({'word_embedding_dimension': 768, 'pooling_mode_cls_token': False, 'pooling_mode_mean_tokens': True, 'pooling_mode_max_tokens': False, 'pooling_mode_mean_sqrt_len_tokens': False, 'pooling_mode_weightedmean_tokens': False, 'pooling_mode_lasttoken': False, 'include_prompt': True})
)

Usage

Direct Usage (Sentence Transformers)

First install the Sentence Transformers library:

pip install -U sentence-transformers

Then you can load this model and run inference.

from sentence_transformers import SentenceTransformer

# Download from the 🤗 Hub
model = SentenceTransformer("Jimmy-Ooi/Tyrisonase_test_model_800_8epoch_wd_0.005")
# Run inference
sentences = [
    'Cc1cccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc4c(c3)c3ccccc3n4C)c2)c1',
    'CCCCOc1cccc2c1C(=O)c1c(OCCCC)cc(CO)cc1C2=O',
    'CCCCC(=O)NC(=S)Nc1c(C)cc(C)cc1C',
]
embeddings = model.encode(sentences)
print(embeddings.shape)
# [3, 768]

# Get the similarity scores for the embeddings
similarities = model.similarity(embeddings, embeddings)
print(similarities)
# tensor([[1.0000, 0.9779, 0.8701],
#         [0.9779, 1.0000, 0.7621],
#         [0.8701, 0.7621, 1.0000]])

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Training Details

Training Dataset

csv

• Dataset: csv
• Size: 120,059 training samples
• Columns: <code>premise</code>, <code>hypothesis</code>, and <code>label</code>
• Approximate statistics based on the first 1000 samples:

  	premise	hypothesis	label
  type	string	string	int
  details	<ul><li>min: 11 tokens</li><li>mean: 39.79 tokens</li><li>max: 106 tokens</li></ul>	<ul><li>min: 11 tokens</li><li>mean: 38.93 tokens</li><li>max: 106 tokens</li></ul>	<ul><li>0: ~49.50%</li><li>2: ~50.50%</li></ul>

• Samples:

  premise	hypothesis	label
  <code>Cc1nnc(SCc2cc(=O)c(O)co2)n1NCc1cccc(O)c1</code>	<code>Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)OCc1cc(=O)c(O)co1)O2</code>	<code>2</code>
  <code>Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)ccc21</code>	<code>CCC(=O)N1CCC(Cc2ccc(F)cc2)CC1</code>	<code>2</code>
  <code>Cc1cc(OCc2cn(Cc3ccc(F)cc3)nn2)c(C=C2C(=O)NC(=S)NC2=O)cc1Br</code>	<code>O=C(OCc1ccc(O)cc1)c1cc(O)ccc1O</code>	<code>2</code>

• Loss: <code>SoftmaxLoss</code>

Evaluation Dataset

csv

• Dataset: csv
• Size: 21,187 evaluation samples
• Columns: <code>premise</code>, <code>hypothesis</code>, and <code>label</code>
• Approximate statistics based on the first 1000 samples:

  	premise	hypothesis	label
  type	string	string	int
  details	<ul><li>min: 11 tokens</li><li>mean: 39.08 tokens</li><li>max: 106 tokens</li></ul>	<ul><li>min: 11 tokens</li><li>mean: 39.31 tokens</li><li>max: 106 tokens</li></ul>	<ul><li>0: ~49.40%</li><li>2: ~50.60%</li></ul>

• Samples:

  premise	hypothesis	label
  <code>CC(=O)Oc1c(/N=N/c2ccc(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)cc2)ccc2ccccc12</code>	<code>C/C(=N\NC(N)=S)c1cccc(N)c1</code>	<code>0</code>
  <code>Cc1nnc(SCc2cc(=O)c(O)co2)n1NCc1cccc(O)c1</code>	<code>O=C(/C=C/c1ccc(O)cc1)NCCCCNC(=O)/C=C/c1ccc(O)cc1</code>	<code>2</code>
  <code>Cc1ccc(-c2nnc(SCc3cc(=O)c(O)co3)n2NCc2ccccc2O)cc1</code>	<code>COc1cc(-c2ccc(C(=O)NCc3ccccc3)c(O)c2)cc(OC)c1O</code>	<code>2</code>

• Loss: <code>SoftmaxLoss</code>

Training Hyperparameters

Non-Default Hyperparameters

• per_device_train_batch_size: 64
• per_device_eval_batch_size: 64
• weight_decay: 0.005
• num_train_epochs: 8
• warmup_steps: 100
• fp16: True

All Hyperparameters

<details><summary>Click to expand</summary>

• overwrite_output_dir: False
• do_predict: False
• eval_strategy: no
• prediction_loss_only: True
• per_device_train_batch_size: 64
• per_device_eval_batch_size: 64
• per_gpu_train_batch_size: None
• per_gpu_eval_batch_size: None
• gradient_accumulation_steps: 1
• eval_accumulation_steps: None
• torch_empty_cache_steps: None
• learning_rate: 5e-05
• weight_decay: 0.005
• adam_beta1: 0.9
• adam_beta2: 0.999
• adam_epsilon: 1e-08
• max_grad_norm: 1.0
• num_train_epochs: 8
• max_steps: -1
• lr_scheduler_type: linear
• lr_scheduler_kwargs: {}
• warmup_ratio: 0.0
• warmup_steps: 100
• log_level: passive
• log_level_replica: warning
• log_on_each_node: True
• logging_nan_inf_filter: True
• save_safetensors: True
• save_on_each_node: False
• save_only_model: False
• restore_callback_states_from_checkpoint: False
• no_cuda: False
• use_cpu: False
• use_mps_device: False
• seed: 42
• data_seed: None
• jit_mode_eval: False
• bf16: False
• fp16: True
• fp16_opt_level: O1
• half_precision_backend: auto
• bf16_full_eval: False
• fp16_full_eval: False
• tf32: None
• local_rank: 0
• ddp_backend: None
• tpu_num_cores: None
• tpu_metrics_debug: False
• debug: []
• dataloader_drop_last: False
• dataloader_num_workers: 0
• dataloader_prefetch_factor: None
• past_index: -1
• disable_tqdm: False
• remove_unused_columns: True
• label_names: None
• load_best_model_at_end: False
• ignore_data_skip: False
• fsdp: []
• fsdp_min_num_params: 0
• fsdp_config: {'min_num_params': 0, 'xla': False, 'xla_fsdp_v2': False, 'xla_fsdp_grad_ckpt': False}
• fsdp_transformer_layer_cls_to_wrap: None
• accelerator_config: {'split_batches': False, 'dispatch_batches': None, 'even_batches': True, 'use_seedable_sampler': True, 'non_blocking': False, 'gradient_accumulation_kwargs': None}
• parallelism_config: None
• deepspeed: None
• label_smoothing_factor: 0.0
• optim: adamw_torch_fused
• optim_args: None
• adafactor: False
• group_by_length: False
• length_column_name: length
• project: huggingface
• trackio_space_id: trackio
• ddp_find_unused_parameters: None
• ddp_bucket_cap_mb: None
• ddp_broadcast_buffers: False
• dataloader_pin_memory: True
• dataloader_persistent_workers: False
• skip_memory_metrics: True
• use_legacy_prediction_loop: False
• push_to_hub: False
• resume_from_checkpoint: None
• hub_model_id: None
• hub_strategy: every_save
• hub_private_repo: None
• hub_always_push: False
• hub_revision: None
• gradient_checkpointing: False
• gradient_checkpointing_kwargs: None
• include_inputs_for_metrics: False
• include_for_metrics: []
• eval_do_concat_batches: True
• fp16_backend: auto
• push_to_hub_model_id: None
• push_to_hub_organization: None
• mp_parameters:
• auto_find_batch_size: False
• full_determinism: False
• torchdynamo: None
• ray_scope: last
• ddp_timeout: 1800
• torch_compile: False
• torch_compile_backend: None
• torch_compile_mode: None
• include_tokens_per_second: False
• include_num_input_tokens_seen: no
• neftune_noise_alpha: None
• optim_target_modules: None
• batch_eval_metrics: False
• eval_on_start: False
• use_liger_kernel: False
• liger_kernel_config: None
• eval_use_gather_object: False
• average_tokens_across_devices: True
• prompts: None
• batch_sampler: batch_sampler
• multi_dataset_batch_sampler: proportional
• router_mapping: {}
• learning_rate_mapping: {}

</details>

Training Logs

<details><summary>Click to expand</summary> </details>

Framework Versions

• Python: 3.12.12
• Sentence Transformers: 5.1.2
• Transformers: 4.57.1
• PyTorch: 2.8.0+cu126
• Accelerate: 1.11.0
• Datasets: 4.0.0
• Tokenizers: 0.22.1

Citation

BibTeX

Sentence Transformers and SoftmaxLoss

@inproceedings{reimers-2019-sentence-bert,
    title = "Sentence-BERT: Sentence Embeddings using Siamese BERT-Networks",
    author = "Reimers, Nils and Gurevych, Iryna",
    booktitle = "Proceedings of the 2019 Conference on Empirical Methods in Natural Language Processing",
    month = "11",
    year = "2019",
    publisher = "Association for Computational Linguistics",
    url = "https://arxiv.org/abs/1908.10084",
}

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