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configuration_omnigenome.py
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# coding=utf-8
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# Copyright 2022 Meta and The HuggingFace Inc. team. All rights reserved.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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""" OmniGenome model configuration"""
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from dataclasses import asdict, dataclass
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from typing import Optional
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from transformers import PretrainedConfig
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from transformers.utils import logging
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logger = logging.get_logger(__name__)
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# TODO Update this
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OmniGenome_PRETRAINED_CONFIG_ARCHIVE_MAP = {
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"yangheng/OmniGenome-52M": "https://huggingface.co/yangheng/OmniGenome-52M/resolve/main/config.json",
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"yangheng/OmniGenome-186M": "https://huggingface.co/yangheng/OmniGenome-186M/resolve/main/config.json",
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# See all OmniGenome models at https://huggingface.co/models?filter=OmniGenome
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}
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class OmniGenomeConfig(PretrainedConfig):
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r"""
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This is the configuration class to store the configuration of a [`OmniGenomeModel`]. It is used to instantiate a OmniGenome model
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according to the specified arguments, defining the model architecture. Instantiating a configuration with the
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defaults will yield a similar configuration to that of the OmniGenome
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[yangheng/OmniGenome-52M](https://huggingface.co/yangheng/OmniGenome-52M) architecture.
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Configuration objects inherit from [`PretrainedConfig`] and can be used to control the model outputs. Read the
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documentation from [`PretrainedConfig`] for more information.
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Args:
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vocab_size (`int`, *optional*):
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Vocabulary size of the OmniGenome model. Defines the number of different tokens that can be represented by the
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`inputs_ids` passed when calling [`OmniGenomeModel`].
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mask_token_id (`int`, *optional*):
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The index of the mask token in the vocabulary. This must be included in the config because of the
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"mask-dropout" scaling trick, which will scale the inputs depending on the number of masked tokens.
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pad_token_id (`int`, *optional*):
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The index of the padding token in the vocabulary. This must be included in the config because certain parts
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of the OmniGenome code use this instead of the attention mask.
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hidden_size (`int`, *optional*, defaults to 768):
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Dimensionality of the encoder layers and the pooler layer.
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num_hidden_layers (`int`, *optional*, defaults to 12):
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Number of hidden layers in the Transformer encoder.
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num_attention_heads (`int`, *optional*, defaults to 12):
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Number of attention heads for each attention layer in the Transformer encoder.
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intermediate_size (`int`, *optional*, defaults to 3072):
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Dimensionality of the "intermediate" (often named feed-forward) layer in the Transformer encoder.
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hidden_dropout_prob (`float`, *optional*, defaults to 0.1):
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The dropout probability for all fully connected layers in the embeddings, encoder, and pooler.
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attention_probs_dropout_prob (`float`, *optional*, defaults to 0.1):
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The dropout ratio for the attention probabilities.
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max_position_embeddings (`int`, *optional*, defaults to 1026):
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The maximum sequence length that this model might ever be used with. Typically set this to something large
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just in case (e.g., 512 or 1024 or 2048).
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initializer_range (`float`, *optional*, defaults to 0.02):
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The standard deviation of the truncated_normal_initializer for initializing all weight matrices.
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layer_norm_eps (`float`, *optional*, defaults to 1e-12):
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The epsilon used by the layer normalization layers.
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position_embedding_type (`str`, *optional*, defaults to `"absolute"`):
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Type of position embedding. Choose one of `"absolute"`, `"relative_key"`, `"relative_key_query", "rotary"`.
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For positional embeddings use `"absolute"`. For more information on `"relative_key"`, please refer to
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[Self-Attention with Relative Position Representations (Shaw et al.)](https://arxiv.org/abs/1803.02155).
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For more information on `"relative_key_query"`, please refer to *Method 4* in [Improve Transformer Models
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with Better Relative Position Embeddings (Huang et al.)](https://arxiv.org/abs/2009.13658).
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is_decoder (`bool`, *optional*, defaults to `False`):
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Whether the model is used as a decoder or not. If `False`, the model is used as an encoder.
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use_cache (`bool`, *optional*, defaults to `True`):
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Whether or not the model should return the last key/values attentions (not used by all models). Only
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relevant if `config.is_decoder=True`.
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emb_layer_norm_before (`bool`, *optional*):
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Whether to apply layer normalization after embeddings but before the main stem of the network.
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token_dropout (`bool`, defaults to `False`):
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When this is enabled, masked tokens are treated as if they had been dropped out by input dropout.
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Examples:
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```python
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# >>> from transformers import OmniGenomeModel, OmniGenomeConfig
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#
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# >>> # Initializing a OmniGenome yangheng/OmniGenome-52M style configuration >>> configuration = OmniGenomeConfig()
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#
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# >>> # Initializing a model from the configuration >>> model = OmniGenomeModel(configuration)
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#
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# >>> # Accessing the model configuration >>> configuration = model.config
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```"""
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model_type = "
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def __init__(
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self,
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vocab_size=None,
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mask_token_id=None,
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pad_token_id=None,
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hidden_size=768,
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num_hidden_layers=12,
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num_attention_heads=12,
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intermediate_size=3072,
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hidden_dropout_prob=0.1,
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attention_probs_dropout_prob=0.1,
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max_position_embeddings=1026,
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initializer_range=0.02,
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layer_norm_eps=1e-12,
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position_embedding_type="absolute",
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use_cache=True,
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emb_layer_norm_before=None,
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token_dropout=False,
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is_folding_model=False,
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OmniGenomefold_config=None,
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vocab_list=None,
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**kwargs,
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):
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super().__init__(
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pad_token_id=pad_token_id, mask_token_id=mask_token_id, **kwargs
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)
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self.vocab_size = vocab_size
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self.hidden_size = hidden_size
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self.num_hidden_layers = num_hidden_layers
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self.num_attention_heads = num_attention_heads
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self.intermediate_size = intermediate_size
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self.hidden_dropout_prob = hidden_dropout_prob
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self.attention_probs_dropout_prob = attention_probs_dropout_prob
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self.max_position_embeddings = max_position_embeddings
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self.initializer_range = initializer_range
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self.layer_norm_eps = layer_norm_eps
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self.position_embedding_type = position_embedding_type
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self.use_cache = use_cache
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self.emb_layer_norm_before = emb_layer_norm_before
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self.token_dropout = token_dropout
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self.is_folding_model = is_folding_model
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self.OmniGenomefold_config = None
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self.vocab_list = None
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if self.OmniGenomefold_config is not None and getattr(
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self.OmniGenomefold_config, "use_OmniGenome_attn_map", False
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):
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raise ValueError(
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"The HuggingFace port of OmniGenomeFold does not support use_OmniGenome_attn_map at this time!"
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)
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def to_dict(self):
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"""
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Serializes this instance to a Python dictionary. Override the default [`~PretrainedConfig.to_dict`].
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Returns:
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`Dict[str, any]`: Dictionary of all the attributes that make up this configuration instance,
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"""
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output = super().to_dict()
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return output
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@dataclass
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class TrunkConfig:
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num_blocks: int = 48
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sequence_state_dim: int = 1024
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pairwise_state_dim: int = 128
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sequence_head_width: int = 32
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pairwise_head_width: int = 32
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position_bins: int = 32
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dropout: float = 0
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layer_drop: float = 0
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cpu_grad_checkpoint: bool = False
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max_recycles: int = 4
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chunk_size: Optional[int] = 128
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structure_module: "StructureModuleConfig" = None
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def __post_init__(self):
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if self.structure_module is None:
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self.structure_module = StructureModuleConfig()
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elif isinstance(self.structure_module, dict):
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self.structure_module = StructureModuleConfig(**self.structure_module)
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if self.max_recycles <= 0:
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raise ValueError(
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f"`max_recycles` should be positive, got {self.max_recycles}."
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)
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if self.sequence_state_dim % self.sequence_state_dim != 0:
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raise ValueError(
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"`sequence_state_dim` should be a round multiple of `sequence_state_dim`, got"
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f" {self.sequence_state_dim} and {self.sequence_state_dim}."
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)
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if self.pairwise_state_dim % self.pairwise_state_dim != 0:
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raise ValueError(
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"`pairwise_state_dim` should be a round multiple of `pairwise_state_dim`, got"
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f" {self.pairwise_state_dim} and {self.pairwise_state_dim}."
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)
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sequence_num_heads = self.sequence_state_dim // self.sequence_head_width
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pairwise_num_heads = self.pairwise_state_dim // self.pairwise_head_width
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if self.sequence_state_dim != sequence_num_heads * self.sequence_head_width:
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raise ValueError(
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"`sequence_state_dim` should be equal to `sequence_num_heads * sequence_head_width, got"
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f" {self.sequence_state_dim} != {sequence_num_heads} * {self.sequence_head_width}."
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)
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if self.pairwise_state_dim != pairwise_num_heads * self.pairwise_head_width:
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raise ValueError(
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"`pairwise_state_dim` should be equal to `pairwise_num_heads * pairwise_head_width, got"
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f" {self.pairwise_state_dim} != {pairwise_num_heads} * {self.pairwise_head_width}."
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)
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if self.pairwise_state_dim % 2 != 0:
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raise ValueError(
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f"`pairwise_state_dim` should be even, got {self.pairwise_state_dim}."
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)
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if self.dropout >= 0.4:
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raise ValueError(
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f"`dropout` should not be greater than 0.4, got {self.dropout}."
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)
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def to_dict(self):
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"""
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Serializes this instance to a Python dictionary. Override the default [`~PretrainedConfig.to_dict`].
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Returns:
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`Dict[str, any]`: Dictionary of all the attributes that make up this configuration instance,
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"""
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output = asdict(self)
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output["structure_module"] = self.structure_module.to_dict()
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return output
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@dataclass
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class StructureModuleConfig:
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"""
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Args:
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sequence_dim:
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Single representation channel dimension
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pairwise_dim:
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Pair representation channel dimension
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ipa_dim:
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IPA hidden channel dimension
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resnet_dim:
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Angle resnet (Alg. 23 lines 11-14) hidden channel dimension
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num_heads_ipa:
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Number of IPA heads
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num_qk_points:
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Number of query/key points to generate during IPA
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num_v_points:
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Number of value points to generate during IPA
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dropout_rate:
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Dropout rate used throughout the layer
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num_blocks:
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Number of structure module blocks
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num_transition_layers:
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Number of layers in the single representation transition (Alg. 23 lines 8-9)
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num_resnet_blocks:
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Number of blocks in the angle resnet
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num_angles:
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Number of angles to generate in the angle resnet
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trans_scale_factor:
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Scale of single representation transition hidden dimension
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epsilon:
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Small number used in angle resnet normalization
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inf:
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Large number used for attention masking
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"""
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sequence_dim: int = 384
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pairwise_dim: int = 128
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ipa_dim: int = 16
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resnet_dim: int = 128
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num_heads_ipa: int = 12
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num_qk_points: int = 4
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num_v_points: int = 8
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dropout_rate: float = 0.1
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num_blocks: int = 8
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num_transition_layers: int = 1
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num_resnet_blocks: int = 2
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num_angles: int = 7
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trans_scale_factor: int = 10
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epsilon: float = 1e-8
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inf: float = 1e5
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def to_dict(self):
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return asdict(self)
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def get_default_vocab_list():
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return (
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"<cls>",
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"<pad>",
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"<eos>",
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"<unk>",
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"A",
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"C",
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"G",
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"T",
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"U",
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"N",
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" ",
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"<mask>",
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)
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# coding=utf-8
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# Copyright 2022 Meta and The HuggingFace Inc. team. All rights reserved.
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#
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# Licensed under the Apache License, Version 2.0 (the "License");
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# you may not use this file except in compliance with the License.
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# You may obtain a copy of the License at
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#
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# http://www.apache.org/licenses/LICENSE-2.0
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#
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# Unless required by applicable law or agreed to in writing, software
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# distributed under the License is distributed on an "AS IS" BASIS,
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# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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# See the License for the specific language governing permissions and
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# limitations under the License.
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""" OmniGenome model configuration"""
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from dataclasses import asdict, dataclass
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from typing import Optional
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from transformers import PretrainedConfig
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from transformers.utils import logging
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logger = logging.get_logger(__name__)
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# TODO Update this
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OmniGenome_PRETRAINED_CONFIG_ARCHIVE_MAP = {
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"yangheng/OmniGenome-52M": "https://huggingface.co/yangheng/OmniGenome-52M/resolve/main/config.json",
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"yangheng/OmniGenome-186M": "https://huggingface.co/yangheng/OmniGenome-186M/resolve/main/config.json",
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# See all OmniGenome models at https://huggingface.co/models?filter=OmniGenome
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}
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class OmniGenomeConfig(PretrainedConfig):
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r"""
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This is the configuration class to store the configuration of a [`OmniGenomeModel`]. It is used to instantiate a OmniGenome model
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according to the specified arguments, defining the model architecture. Instantiating a configuration with the
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defaults will yield a similar configuration to that of the OmniGenome
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[yangheng/OmniGenome-52M](https://huggingface.co/yangheng/OmniGenome-52M) architecture.
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+
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Configuration objects inherit from [`PretrainedConfig`] and can be used to control the model outputs. Read the
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documentation from [`PretrainedConfig`] for more information.
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+
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Args:
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vocab_size (`int`, *optional*):
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Vocabulary size of the OmniGenome model. Defines the number of different tokens that can be represented by the
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`inputs_ids` passed when calling [`OmniGenomeModel`].
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mask_token_id (`int`, *optional*):
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| 50 |
+
The index of the mask token in the vocabulary. This must be included in the config because of the
|
| 51 |
+
"mask-dropout" scaling trick, which will scale the inputs depending on the number of masked tokens.
|
| 52 |
+
pad_token_id (`int`, *optional*):
|
| 53 |
+
The index of the padding token in the vocabulary. This must be included in the config because certain parts
|
| 54 |
+
of the OmniGenome code use this instead of the attention mask.
|
| 55 |
+
hidden_size (`int`, *optional*, defaults to 768):
|
| 56 |
+
Dimensionality of the encoder layers and the pooler layer.
|
| 57 |
+
num_hidden_layers (`int`, *optional*, defaults to 12):
|
| 58 |
+
Number of hidden layers in the Transformer encoder.
|
| 59 |
+
num_attention_heads (`int`, *optional*, defaults to 12):
|
| 60 |
+
Number of attention heads for each attention layer in the Transformer encoder.
|
| 61 |
+
intermediate_size (`int`, *optional*, defaults to 3072):
|
| 62 |
+
Dimensionality of the "intermediate" (often named feed-forward) layer in the Transformer encoder.
|
| 63 |
+
hidden_dropout_prob (`float`, *optional*, defaults to 0.1):
|
| 64 |
+
The dropout probability for all fully connected layers in the embeddings, encoder, and pooler.
|
| 65 |
+
attention_probs_dropout_prob (`float`, *optional*, defaults to 0.1):
|
| 66 |
+
The dropout ratio for the attention probabilities.
|
| 67 |
+
max_position_embeddings (`int`, *optional*, defaults to 1026):
|
| 68 |
+
The maximum sequence length that this model might ever be used with. Typically set this to something large
|
| 69 |
+
just in case (e.g., 512 or 1024 or 2048).
|
| 70 |
+
initializer_range (`float`, *optional*, defaults to 0.02):
|
| 71 |
+
The standard deviation of the truncated_normal_initializer for initializing all weight matrices.
|
| 72 |
+
layer_norm_eps (`float`, *optional*, defaults to 1e-12):
|
| 73 |
+
The epsilon used by the layer normalization layers.
|
| 74 |
+
position_embedding_type (`str`, *optional*, defaults to `"absolute"`):
|
| 75 |
+
Type of position embedding. Choose one of `"absolute"`, `"relative_key"`, `"relative_key_query", "rotary"`.
|
| 76 |
+
For positional embeddings use `"absolute"`. For more information on `"relative_key"`, please refer to
|
| 77 |
+
[Self-Attention with Relative Position Representations (Shaw et al.)](https://arxiv.org/abs/1803.02155).
|
| 78 |
+
For more information on `"relative_key_query"`, please refer to *Method 4* in [Improve Transformer Models
|
| 79 |
+
with Better Relative Position Embeddings (Huang et al.)](https://arxiv.org/abs/2009.13658).
|
| 80 |
+
is_decoder (`bool`, *optional*, defaults to `False`):
|
| 81 |
+
Whether the model is used as a decoder or not. If `False`, the model is used as an encoder.
|
| 82 |
+
use_cache (`bool`, *optional*, defaults to `True`):
|
| 83 |
+
Whether or not the model should return the last key/values attentions (not used by all models). Only
|
| 84 |
+
relevant if `config.is_decoder=True`.
|
| 85 |
+
emb_layer_norm_before (`bool`, *optional*):
|
| 86 |
+
Whether to apply layer normalization after embeddings but before the main stem of the network.
|
| 87 |
+
token_dropout (`bool`, defaults to `False`):
|
| 88 |
+
When this is enabled, masked tokens are treated as if they had been dropped out by input dropout.
|
| 89 |
+
|
| 90 |
+
Examples:
|
| 91 |
+
|
| 92 |
+
```python
|
| 93 |
+
# >>> from transformers import OmniGenomeModel, OmniGenomeConfig
|
| 94 |
+
#
|
| 95 |
+
# >>> # Initializing a OmniGenome yangheng/OmniGenome-52M style configuration >>> configuration = OmniGenomeConfig()
|
| 96 |
+
#
|
| 97 |
+
# >>> # Initializing a model from the configuration >>> model = OmniGenomeModel(configuration)
|
| 98 |
+
#
|
| 99 |
+
# >>> # Accessing the model configuration >>> configuration = model.config
|
| 100 |
+
```"""
|
| 101 |
+
|
| 102 |
+
model_type = "omnigenome"
|
| 103 |
+
|
| 104 |
+
def __init__(
|
| 105 |
+
self,
|
| 106 |
+
vocab_size=None,
|
| 107 |
+
mask_token_id=None,
|
| 108 |
+
pad_token_id=None,
|
| 109 |
+
hidden_size=768,
|
| 110 |
+
num_hidden_layers=12,
|
| 111 |
+
num_attention_heads=12,
|
| 112 |
+
intermediate_size=3072,
|
| 113 |
+
hidden_dropout_prob=0.1,
|
| 114 |
+
attention_probs_dropout_prob=0.1,
|
| 115 |
+
max_position_embeddings=1026,
|
| 116 |
+
initializer_range=0.02,
|
| 117 |
+
layer_norm_eps=1e-12,
|
| 118 |
+
position_embedding_type="absolute",
|
| 119 |
+
use_cache=True,
|
| 120 |
+
emb_layer_norm_before=None,
|
| 121 |
+
token_dropout=False,
|
| 122 |
+
is_folding_model=False,
|
| 123 |
+
OmniGenomefold_config=None,
|
| 124 |
+
vocab_list=None,
|
| 125 |
+
**kwargs,
|
| 126 |
+
):
|
| 127 |
+
super().__init__(
|
| 128 |
+
pad_token_id=pad_token_id, mask_token_id=mask_token_id, **kwargs
|
| 129 |
+
)
|
| 130 |
+
|
| 131 |
+
self.vocab_size = vocab_size
|
| 132 |
+
self.hidden_size = hidden_size
|
| 133 |
+
self.num_hidden_layers = num_hidden_layers
|
| 134 |
+
self.num_attention_heads = num_attention_heads
|
| 135 |
+
self.intermediate_size = intermediate_size
|
| 136 |
+
self.hidden_dropout_prob = hidden_dropout_prob
|
| 137 |
+
self.attention_probs_dropout_prob = attention_probs_dropout_prob
|
| 138 |
+
self.max_position_embeddings = max_position_embeddings
|
| 139 |
+
self.initializer_range = initializer_range
|
| 140 |
+
self.layer_norm_eps = layer_norm_eps
|
| 141 |
+
self.position_embedding_type = position_embedding_type
|
| 142 |
+
self.use_cache = use_cache
|
| 143 |
+
self.emb_layer_norm_before = emb_layer_norm_before
|
| 144 |
+
self.token_dropout = token_dropout
|
| 145 |
+
self.is_folding_model = is_folding_model
|
| 146 |
+
self.OmniGenomefold_config = None
|
| 147 |
+
self.vocab_list = None
|
| 148 |
+
if self.OmniGenomefold_config is not None and getattr(
|
| 149 |
+
self.OmniGenomefold_config, "use_OmniGenome_attn_map", False
|
| 150 |
+
):
|
| 151 |
+
raise ValueError(
|
| 152 |
+
"The HuggingFace port of OmniGenomeFold does not support use_OmniGenome_attn_map at this time!"
|
| 153 |
+
)
|
| 154 |
+
|
| 155 |
+
def to_dict(self):
|
| 156 |
+
"""
|
| 157 |
+
Serializes this instance to a Python dictionary. Override the default [`~PretrainedConfig.to_dict`].
|
| 158 |
+
|
| 159 |
+
Returns:
|
| 160 |
+
`Dict[str, any]`: Dictionary of all the attributes that make up this configuration instance,
|
| 161 |
+
"""
|
| 162 |
+
output = super().to_dict()
|
| 163 |
+
return output
|
| 164 |
+
|
| 165 |
+
|
| 166 |
+
@dataclass
|
| 167 |
+
class TrunkConfig:
|
| 168 |
+
num_blocks: int = 48
|
| 169 |
+
sequence_state_dim: int = 1024
|
| 170 |
+
pairwise_state_dim: int = 128
|
| 171 |
+
sequence_head_width: int = 32
|
| 172 |
+
pairwise_head_width: int = 32
|
| 173 |
+
position_bins: int = 32
|
| 174 |
+
dropout: float = 0
|
| 175 |
+
layer_drop: float = 0
|
| 176 |
+
cpu_grad_checkpoint: bool = False
|
| 177 |
+
max_recycles: int = 4
|
| 178 |
+
chunk_size: Optional[int] = 128
|
| 179 |
+
structure_module: "StructureModuleConfig" = None
|
| 180 |
+
|
| 181 |
+
def __post_init__(self):
|
| 182 |
+
if self.structure_module is None:
|
| 183 |
+
self.structure_module = StructureModuleConfig()
|
| 184 |
+
elif isinstance(self.structure_module, dict):
|
| 185 |
+
self.structure_module = StructureModuleConfig(**self.structure_module)
|
| 186 |
+
|
| 187 |
+
if self.max_recycles <= 0:
|
| 188 |
+
raise ValueError(
|
| 189 |
+
f"`max_recycles` should be positive, got {self.max_recycles}."
|
| 190 |
+
)
|
| 191 |
+
if self.sequence_state_dim % self.sequence_state_dim != 0:
|
| 192 |
+
raise ValueError(
|
| 193 |
+
"`sequence_state_dim` should be a round multiple of `sequence_state_dim`, got"
|
| 194 |
+
f" {self.sequence_state_dim} and {self.sequence_state_dim}."
|
| 195 |
+
)
|
| 196 |
+
if self.pairwise_state_dim % self.pairwise_state_dim != 0:
|
| 197 |
+
raise ValueError(
|
| 198 |
+
"`pairwise_state_dim` should be a round multiple of `pairwise_state_dim`, got"
|
| 199 |
+
f" {self.pairwise_state_dim} and {self.pairwise_state_dim}."
|
| 200 |
+
)
|
| 201 |
+
|
| 202 |
+
sequence_num_heads = self.sequence_state_dim // self.sequence_head_width
|
| 203 |
+
pairwise_num_heads = self.pairwise_state_dim // self.pairwise_head_width
|
| 204 |
+
|
| 205 |
+
if self.sequence_state_dim != sequence_num_heads * self.sequence_head_width:
|
| 206 |
+
raise ValueError(
|
| 207 |
+
"`sequence_state_dim` should be equal to `sequence_num_heads * sequence_head_width, got"
|
| 208 |
+
f" {self.sequence_state_dim} != {sequence_num_heads} * {self.sequence_head_width}."
|
| 209 |
+
)
|
| 210 |
+
if self.pairwise_state_dim != pairwise_num_heads * self.pairwise_head_width:
|
| 211 |
+
raise ValueError(
|
| 212 |
+
"`pairwise_state_dim` should be equal to `pairwise_num_heads * pairwise_head_width, got"
|
| 213 |
+
f" {self.pairwise_state_dim} != {pairwise_num_heads} * {self.pairwise_head_width}."
|
| 214 |
+
)
|
| 215 |
+
if self.pairwise_state_dim % 2 != 0:
|
| 216 |
+
raise ValueError(
|
| 217 |
+
f"`pairwise_state_dim` should be even, got {self.pairwise_state_dim}."
|
| 218 |
+
)
|
| 219 |
+
|
| 220 |
+
if self.dropout >= 0.4:
|
| 221 |
+
raise ValueError(
|
| 222 |
+
f"`dropout` should not be greater than 0.4, got {self.dropout}."
|
| 223 |
+
)
|
| 224 |
+
|
| 225 |
+
def to_dict(self):
|
| 226 |
+
"""
|
| 227 |
+
Serializes this instance to a Python dictionary. Override the default [`~PretrainedConfig.to_dict`].
|
| 228 |
+
|
| 229 |
+
Returns:
|
| 230 |
+
`Dict[str, any]`: Dictionary of all the attributes that make up this configuration instance,
|
| 231 |
+
"""
|
| 232 |
+
output = asdict(self)
|
| 233 |
+
output["structure_module"] = self.structure_module.to_dict()
|
| 234 |
+
return output
|
| 235 |
+
|
| 236 |
+
|
| 237 |
+
@dataclass
|
| 238 |
+
class StructureModuleConfig:
|
| 239 |
+
"""
|
| 240 |
+
Args:
|
| 241 |
+
sequence_dim:
|
| 242 |
+
Single representation channel dimension
|
| 243 |
+
pairwise_dim:
|
| 244 |
+
Pair representation channel dimension
|
| 245 |
+
ipa_dim:
|
| 246 |
+
IPA hidden channel dimension
|
| 247 |
+
resnet_dim:
|
| 248 |
+
Angle resnet (Alg. 23 lines 11-14) hidden channel dimension
|
| 249 |
+
num_heads_ipa:
|
| 250 |
+
Number of IPA heads
|
| 251 |
+
num_qk_points:
|
| 252 |
+
Number of query/key points to generate during IPA
|
| 253 |
+
num_v_points:
|
| 254 |
+
Number of value points to generate during IPA
|
| 255 |
+
dropout_rate:
|
| 256 |
+
Dropout rate used throughout the layer
|
| 257 |
+
num_blocks:
|
| 258 |
+
Number of structure module blocks
|
| 259 |
+
num_transition_layers:
|
| 260 |
+
Number of layers in the single representation transition (Alg. 23 lines 8-9)
|
| 261 |
+
num_resnet_blocks:
|
| 262 |
+
Number of blocks in the angle resnet
|
| 263 |
+
num_angles:
|
| 264 |
+
Number of angles to generate in the angle resnet
|
| 265 |
+
trans_scale_factor:
|
| 266 |
+
Scale of single representation transition hidden dimension
|
| 267 |
+
epsilon:
|
| 268 |
+
Small number used in angle resnet normalization
|
| 269 |
+
inf:
|
| 270 |
+
Large number used for attention masking
|
| 271 |
+
"""
|
| 272 |
+
|
| 273 |
+
sequence_dim: int = 384
|
| 274 |
+
pairwise_dim: int = 128
|
| 275 |
+
ipa_dim: int = 16
|
| 276 |
+
resnet_dim: int = 128
|
| 277 |
+
num_heads_ipa: int = 12
|
| 278 |
+
num_qk_points: int = 4
|
| 279 |
+
num_v_points: int = 8
|
| 280 |
+
dropout_rate: float = 0.1
|
| 281 |
+
num_blocks: int = 8
|
| 282 |
+
num_transition_layers: int = 1
|
| 283 |
+
num_resnet_blocks: int = 2
|
| 284 |
+
num_angles: int = 7
|
| 285 |
+
trans_scale_factor: int = 10
|
| 286 |
+
epsilon: float = 1e-8
|
| 287 |
+
inf: float = 1e5
|
| 288 |
+
|
| 289 |
+
def to_dict(self):
|
| 290 |
+
return asdict(self)
|
| 291 |
+
|
| 292 |
+
|
| 293 |
+
def get_default_vocab_list():
|
| 294 |
+
return (
|
| 295 |
+
"<cls>",
|
| 296 |
+
"<pad>",
|
| 297 |
+
"<eos>",
|
| 298 |
+
"<unk>",
|
| 299 |
+
"A",
|
| 300 |
+
"C",
|
| 301 |
+
"G",
|
| 302 |
+
"T",
|
| 303 |
+
"U",
|
| 304 |
+
"N",
|
| 305 |
+
" ",
|
| 306 |
+
"<mask>",
|
| 307 |
+
)
|