Upload PlasmidLM pretrained checkpoint (v4, step 15000)
Browse files- README.md +124 -0
- config.json +29 -0
- configuration_plasmid_lm.py +35 -0
- generation_config.json +7 -0
- model.safetensors +3 -0
- modeling_plasmid_lm.py +301 -0
- special_tokens.txt +105 -0
- tokenization_plasmid_lm.py +115 -0
- vocab.json +117 -0
README.md
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---
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language:
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- en
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license: apache-2.0
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library_name: transformers
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tags:
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- biology
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- genomics
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- dna
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- plasmid
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- synthetic-biology
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- causal-lm
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- protein-engineering
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datasets:
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- custom
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pipeline_tag: text-generation
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model-index:
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- name: PlasmidLM
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results:
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- task:
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type: text-generation
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name: Plasmid DNA Generation
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metrics:
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- name: Eval Loss
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type: loss
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value: 0.093
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- name: Token Accuracy
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type: accuracy
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value: 0.961
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---
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# PlasmidLM
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A 17M-parameter transformer language model for conditional generation of synthetic plasmid DNA sequences.
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## Model Description
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PlasmidLM generates plasmid DNA sequences conditioned on functional component specifications. Given a prompt specifying desired elements (antibiotic resistance genes, origins of replication, promoters, reporters, etc.), it autoregressively generates a complete DNA sequence containing those elements.
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**Architecture**: LLaMA-style transformer decoder with RoPE, RMSNorm, and GELU activations.
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| Parameter | Value |
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|-----------|-------|
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| Parameters | 17M |
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| Hidden size | 384 |
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| Layers | 10 |
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| Attention heads | 8 |
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| Context length | 16,384 tokens |
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| Vocabulary | 120 tokens |
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The vocabulary consists of 5 DNA bases (A, T, C, G, N), control tokens (BOS, EOS, SEP, PAD, UNK), and ~100 categorical tokens representing functional plasmid components (e.g., `<AMR_KANAMYCIN>`, `<ORI_COLE1>`, `<PROM_T7>`).
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## Training
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Pretrained with causal language modeling on ~108K plasmid sequences derived from the [Addgene](https://www.addgene.org/) repository, annotated with functional components via [pLannotate](https://github.com/barricklab/pLannotate).
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- **Steps**: 15,000
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- **Epochs**: ~2.3
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- **Eval loss**: 0.093
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- **Token accuracy**: 96.1%
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- **Optimizer**: AdamW
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- **Precision**: bf16
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## Intended Use
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This is a **base pretrained model**. It has learned the statistical patterns of plasmid DNA sequences and their relationship to categorical component tokens. It can be used for:
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- **Direct generation**: Prompt with component tokens to generate plasmid sequences
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- **Fine-tuning**: Post-train with reinforcement learning (GRPO/PPO) to improve motif placement accuracy
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- **Embeddings**: Use hidden states as learned representations of plasmid sequences
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- **Research**: Study the learned structure of synthetic DNA
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## Usage
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```python
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from transformers import AutoModelForCausalLM, AutoTokenizer
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model = AutoModelForCausalLM.from_pretrained("McClain/PlasmidLM", trust_remote_code=True)
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tokenizer = AutoTokenizer.from_pretrained("McClain/PlasmidLM", trust_remote_code=True)
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# Generate a plasmid with kanamycin resistance and ColE1 origin
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prompt = "<BOS><AMR_KANAMYCIN><ORI_COLE1><SEP>"
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inputs = tokenizer(prompt, return_tensors="pt")
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outputs = model.generate(**inputs, max_new_tokens=4096, temperature=0.8, do_sample=True)
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sequence = tokenizer.decode(outputs[0], skip_special_tokens=False)
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print(sequence)
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```
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## Input Format
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```
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<BOS><TOKEN1><TOKEN2>...<SEP>
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```
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The model generates DNA bases (A/T/C/G) after the `<SEP>` token until it produces `<EOS>` or hits the maximum length.
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## Component Categories
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| Category | Examples | Count |
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|----------|----------|-------|
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| Antibiotic Resistance (AMR) | Kanamycin, Ampicillin, Chloramphenicol, ... | 11 |
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| Origin of Replication (ORI) | ColE1, F1, P15A, pSC101, SV40, ... | 7 |
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| Promoter (PROM) | CMV, T7, U6, EF1a, CAG, ... | 11 |
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| Reporter | EGFP, mCherry, YFP, NanoLuc, ... | 6 |
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| Vector Type (VEC) | Lentiviral, CRISPR, Bacterial, AAV, ... | 10 |
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| Other | Tags, elements, species, backbones | ~55 |
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## Limitations
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- This is a **pretrained base model** -- it learns sequence statistics but has not been optimized for motif placement accuracy. Post-training with RL significantly improves functional element fidelity.
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- Generated sequences are **not experimentally validated**. Always verify computationally (e.g., with pLannotate) and experimentally before synthesis.
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- The model was trained on Addgene plasmids, which are biased toward commonly deposited vectors (mammalian expression, bacterial cloning, CRISPR).
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- Maximum context of 16K tokens (~16 kbp), which covers most but not all plasmids.
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## Citation
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```bibtex
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@misc{thiel2026plasmidlm,
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title={PlasmidLM: Language Models for Conditional Plasmid DNA Generation},
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author={Thiel, McClain},
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year={2026},
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url={https://huggingface.co/McClain/PlasmidLM}
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}
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```
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config.json
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{
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"architectures": [
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"PlasmidLMForCausalLM"
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],
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"bos_token_id": 0,
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"dtype": "float32",
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"eos_token_id": 1,
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"hidden_act": "gelu",
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"hidden_size": 384,
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"intermediate_size": 1536,
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"max_position_embeddings": 16384,
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"model_type": "plasmid_lm",
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"num_attention_heads": 8,
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"num_hidden_layers": 10,
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"pad_token_id": 3,
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"rms_norm_eps": 1e-05,
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"rope_theta": 10000.0,
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"transformers_version": "4.57.6",
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"vocab_size": 120,
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"auto_map": {
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"AutoConfig": "configuration_plasmid_lm.PlasmidLMConfig",
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"AutoModel": "modeling_plasmid_lm.PlasmidLMModel",
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"AutoModelForCausalLM": "modeling_plasmid_lm.PlasmidLMForCausalLM",
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"AutoTokenizer": [
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"tokenization_plasmid_lm.PlasmidLMTokenizer",
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null
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]
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}
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}
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configuration_plasmid_lm.py
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"""HuggingFace configuration for PlasmidLM."""
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from transformers import PretrainedConfig
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class PlasmidLMConfig(PretrainedConfig):
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model_type = "plasmid_lm"
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def __init__(
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self,
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vocab_size: int = 112,
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hidden_size: int = 384,
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num_hidden_layers: int = 10,
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num_attention_heads: int = 8,
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intermediate_size: int = 1536,
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hidden_act: str = "gelu",
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rms_norm_eps: float = 1e-5,
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max_position_embeddings: int = 16384,
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rope_theta: float = 10000.0,
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tie_word_embeddings: bool = True,
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**kwargs,
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):
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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_act = hidden_act
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self.rms_norm_eps = rms_norm_eps
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self.max_position_embeddings = max_position_embeddings
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self.rope_theta = rope_theta
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super().__init__(
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vocab_size=vocab_size,
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tie_word_embeddings=tie_word_embeddings,
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**kwargs,
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)
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generation_config.json
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{
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"_from_model_config": true,
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"bos_token_id": 0,
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"eos_token_id": 1,
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"pad_token_id": 3,
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"transformers_version": "4.57.6"
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}
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model.safetensors
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version https://git-lfs.github.com/spec/v1
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oid sha256:c4429ce1399e6bab5ac053d7aae115daa7870032b0f54769859d24acb664ba91
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size 71004376
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modeling_plasmid_lm.py
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|
| 1 |
+
"""HuggingFace-compatible PlasmidLM model for use with AutoModelForCausalLM and vLLM."""
|
| 2 |
+
|
| 3 |
+
from __future__ import annotations
|
| 4 |
+
|
| 5 |
+
import math
|
| 6 |
+
from typing import Optional, Tuple
|
| 7 |
+
|
| 8 |
+
import torch
|
| 9 |
+
import torch.nn as nn
|
| 10 |
+
import torch.nn.functional as F
|
| 11 |
+
from transformers import PreTrainedModel
|
| 12 |
+
from transformers.cache_utils import DynamicCache
|
| 13 |
+
from transformers.generation import GenerationMixin
|
| 14 |
+
from transformers.modeling_outputs import CausalLMOutputWithPast
|
| 15 |
+
|
| 16 |
+
from .configuration_plasmid_lm import PlasmidLMConfig
|
| 17 |
+
|
| 18 |
+
|
| 19 |
+
def _rope_freqs(dim: int, max_len: int, base: float) -> Tuple[torch.Tensor, torch.Tensor]:
|
| 20 |
+
freqs = 1.0 / (base ** (torch.arange(0, dim, 2).float() / dim))
|
| 21 |
+
t = torch.arange(max_len).float()
|
| 22 |
+
angles = torch.outer(t, freqs)
|
| 23 |
+
return torch.cos(angles), torch.sin(angles)
|
| 24 |
+
|
| 25 |
+
|
| 26 |
+
def _apply_rope(x: torch.Tensor, cos: torch.Tensor, sin: torch.Tensor, offset: int = 0) -> torch.Tensor:
|
| 27 |
+
S = x.shape[2]
|
| 28 |
+
cos = cos[offset:offset + S].unsqueeze(0).unsqueeze(0)
|
| 29 |
+
sin = sin[offset:offset + S].unsqueeze(0).unsqueeze(0)
|
| 30 |
+
x1, x2 = x[..., ::2], x[..., 1::2]
|
| 31 |
+
return torch.stack([x1 * cos - x2 * sin, x1 * sin + x2 * cos], dim=-1).flatten(-2)
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
class PlasmidLMAttention(nn.Module):
|
| 35 |
+
def __init__(self, config: PlasmidLMConfig):
|
| 36 |
+
super().__init__()
|
| 37 |
+
self.num_heads = config.num_attention_heads
|
| 38 |
+
self.head_dim = config.hidden_size // config.num_attention_heads
|
| 39 |
+
self.q_proj = nn.Linear(config.hidden_size, config.hidden_size, bias=False)
|
| 40 |
+
self.k_proj = nn.Linear(config.hidden_size, config.hidden_size, bias=False)
|
| 41 |
+
self.v_proj = nn.Linear(config.hidden_size, config.hidden_size, bias=False)
|
| 42 |
+
self.o_proj = nn.Linear(config.hidden_size, config.hidden_size, bias=False)
|
| 43 |
+
|
| 44 |
+
def forward(
|
| 45 |
+
self,
|
| 46 |
+
hidden_states: torch.Tensor,
|
| 47 |
+
rope_cos: torch.Tensor,
|
| 48 |
+
rope_sin: torch.Tensor,
|
| 49 |
+
past_key_value: Optional[Tuple[torch.Tensor, torch.Tensor]] = None,
|
| 50 |
+
position_offset: int = 0,
|
| 51 |
+
) -> Tuple[torch.Tensor, Tuple[torch.Tensor, torch.Tensor]]:
|
| 52 |
+
B, S, _ = hidden_states.shape
|
| 53 |
+
q = self.q_proj(hidden_states).view(B, S, self.num_heads, self.head_dim).transpose(1, 2)
|
| 54 |
+
k = self.k_proj(hidden_states).view(B, S, self.num_heads, self.head_dim).transpose(1, 2)
|
| 55 |
+
v = self.v_proj(hidden_states).view(B, S, self.num_heads, self.head_dim).transpose(1, 2)
|
| 56 |
+
|
| 57 |
+
dtype = q.dtype
|
| 58 |
+
q = _apply_rope(q, rope_cos, rope_sin, offset=position_offset).to(dtype)
|
| 59 |
+
k = _apply_rope(k, rope_cos, rope_sin, offset=position_offset).to(dtype)
|
| 60 |
+
|
| 61 |
+
if past_key_value is not None:
|
| 62 |
+
k = torch.cat([past_key_value[0], k], dim=2)
|
| 63 |
+
v = torch.cat([past_key_value[1], v], dim=2)
|
| 64 |
+
new_kv = (k, v)
|
| 65 |
+
|
| 66 |
+
use_causal = past_key_value is None
|
| 67 |
+
attn = F.scaled_dot_product_attention(q, k, v, is_causal=use_causal)
|
| 68 |
+
out = attn.transpose(1, 2).reshape(B, S, -1)
|
| 69 |
+
return self.o_proj(out), new_kv
|
| 70 |
+
|
| 71 |
+
|
| 72 |
+
class PlasmidLMMLP(nn.Module):
|
| 73 |
+
def __init__(self, config: PlasmidLMConfig):
|
| 74 |
+
super().__init__()
|
| 75 |
+
self.up_proj = nn.Linear(config.hidden_size, config.intermediate_size, bias=False)
|
| 76 |
+
self.down_proj = nn.Linear(config.intermediate_size, config.hidden_size, bias=False)
|
| 77 |
+
self.act = nn.GELU()
|
| 78 |
+
|
| 79 |
+
def forward(self, x: torch.Tensor) -> torch.Tensor:
|
| 80 |
+
return self.down_proj(self.act(self.up_proj(x)))
|
| 81 |
+
|
| 82 |
+
|
| 83 |
+
class PlasmidLMDecoderLayer(nn.Module):
|
| 84 |
+
def __init__(self, config: PlasmidLMConfig):
|
| 85 |
+
super().__init__()
|
| 86 |
+
self.input_layernorm = nn.RMSNorm(config.hidden_size, eps=config.rms_norm_eps)
|
| 87 |
+
self.self_attn = PlasmidLMAttention(config)
|
| 88 |
+
self.post_attention_layernorm = nn.RMSNorm(config.hidden_size, eps=config.rms_norm_eps)
|
| 89 |
+
self.mlp = PlasmidLMMLP(config)
|
| 90 |
+
|
| 91 |
+
def forward(
|
| 92 |
+
self,
|
| 93 |
+
hidden_states: torch.Tensor,
|
| 94 |
+
rope_cos: torch.Tensor,
|
| 95 |
+
rope_sin: torch.Tensor,
|
| 96 |
+
past_key_value: Optional[Tuple[torch.Tensor, torch.Tensor]] = None,
|
| 97 |
+
position_offset: int = 0,
|
| 98 |
+
) -> Tuple[torch.Tensor, Tuple[torch.Tensor, torch.Tensor]]:
|
| 99 |
+
residual = hidden_states
|
| 100 |
+
hidden_states = self.input_layernorm(hidden_states)
|
| 101 |
+
attn_out, new_kv = self.self_attn(hidden_states, rope_cos, rope_sin, past_key_value, position_offset)
|
| 102 |
+
hidden_states = residual + attn_out
|
| 103 |
+
|
| 104 |
+
residual = hidden_states
|
| 105 |
+
hidden_states = residual + self.mlp(self.post_attention_layernorm(hidden_states))
|
| 106 |
+
return hidden_states, new_kv
|
| 107 |
+
|
| 108 |
+
|
| 109 |
+
class PlasmidLMPreTrainedModel(PreTrainedModel):
|
| 110 |
+
config_class = PlasmidLMConfig
|
| 111 |
+
base_model_prefix = "model"
|
| 112 |
+
supports_gradient_checkpointing = True
|
| 113 |
+
|
| 114 |
+
def _set_gradient_checkpointing(self, module, value=False):
|
| 115 |
+
if isinstance(module, PlasmidLMModel):
|
| 116 |
+
module.gradient_checkpointing = value
|
| 117 |
+
|
| 118 |
+
|
| 119 |
+
class PlasmidLMModel(PlasmidLMPreTrainedModel):
|
| 120 |
+
"""Base model (backbone) — returned by AutoModel."""
|
| 121 |
+
|
| 122 |
+
def __init__(self, config: PlasmidLMConfig):
|
| 123 |
+
super().__init__(config)
|
| 124 |
+
self.embed_tokens = nn.Embedding(config.vocab_size, config.hidden_size)
|
| 125 |
+
self.layers = nn.ModuleList([PlasmidLMDecoderLayer(config) for _ in range(config.num_hidden_layers)])
|
| 126 |
+
self.norm = nn.RMSNorm(config.hidden_size, eps=config.rms_norm_eps)
|
| 127 |
+
|
| 128 |
+
head_dim = config.hidden_size // config.num_attention_heads
|
| 129 |
+
cos, sin = _rope_freqs(head_dim, config.max_position_embeddings, config.rope_theta)
|
| 130 |
+
self.register_buffer("rope_cos", cos, persistent=False)
|
| 131 |
+
self.register_buffer("rope_sin", sin, persistent=False)
|
| 132 |
+
|
| 133 |
+
self.gradient_checkpointing = False
|
| 134 |
+
self.post_init()
|
| 135 |
+
|
| 136 |
+
def get_input_embeddings(self):
|
| 137 |
+
return self.embed_tokens
|
| 138 |
+
|
| 139 |
+
def set_input_embeddings(self, value):
|
| 140 |
+
self.embed_tokens = value
|
| 141 |
+
|
| 142 |
+
def forward(
|
| 143 |
+
self,
|
| 144 |
+
input_ids: torch.Tensor,
|
| 145 |
+
past_key_values: Optional[list] = None,
|
| 146 |
+
position_offset: int = 0,
|
| 147 |
+
**kwargs,
|
| 148 |
+
) -> Tuple[torch.Tensor, list]:
|
| 149 |
+
hidden_states = self.embed_tokens(input_ids)
|
| 150 |
+
new_kv_caches = []
|
| 151 |
+
for i, layer in enumerate(self.layers):
|
| 152 |
+
past_kv = past_key_values[i] if past_key_values else None
|
| 153 |
+
if self.gradient_checkpointing and self.training:
|
| 154 |
+
# Gradient checkpointing recomputes activations on backward — no past_kv during training
|
| 155 |
+
def make_ckpt_fn(l):
|
| 156 |
+
def fn(h, cos, sin):
|
| 157 |
+
out, kv = l(h, cos, sin, None, 0)
|
| 158 |
+
return out, kv[0], kv[1]
|
| 159 |
+
return fn
|
| 160 |
+
hidden_states, k, v = torch.utils.checkpoint.checkpoint(
|
| 161 |
+
make_ckpt_fn(layer), hidden_states, self.rope_cos, self.rope_sin,
|
| 162 |
+
use_reentrant=False,
|
| 163 |
+
)
|
| 164 |
+
new_kv = (k, v)
|
| 165 |
+
else:
|
| 166 |
+
hidden_states, new_kv = layer(hidden_states, self.rope_cos, self.rope_sin, past_kv, position_offset)
|
| 167 |
+
new_kv_caches.append(new_kv)
|
| 168 |
+
hidden_states = self.norm(hidden_states)
|
| 169 |
+
return hidden_states, new_kv_caches
|
| 170 |
+
|
| 171 |
+
|
| 172 |
+
class PlasmidLMForCausalLM(PlasmidLMPreTrainedModel, GenerationMixin):
|
| 173 |
+
_tied_weights_keys = ["lm_head.weight"]
|
| 174 |
+
|
| 175 |
+
def __init__(self, config: PlasmidLMConfig):
|
| 176 |
+
super().__init__(config)
|
| 177 |
+
self.model = PlasmidLMModel(config)
|
| 178 |
+
self.lm_head = nn.Linear(config.hidden_size, config.vocab_size, bias=False)
|
| 179 |
+
|
| 180 |
+
self.post_init()
|
| 181 |
+
|
| 182 |
+
def get_input_embeddings(self):
|
| 183 |
+
return self.model.embed_tokens
|
| 184 |
+
|
| 185 |
+
def set_input_embeddings(self, value):
|
| 186 |
+
self.model.embed_tokens = value
|
| 187 |
+
|
| 188 |
+
def get_output_embeddings(self):
|
| 189 |
+
return self.lm_head
|
| 190 |
+
|
| 191 |
+
def set_output_embeddings(self, new_embeddings):
|
| 192 |
+
self.lm_head = new_embeddings
|
| 193 |
+
|
| 194 |
+
def prepare_inputs_for_generation(
|
| 195 |
+
self,
|
| 196 |
+
input_ids: torch.Tensor,
|
| 197 |
+
past_key_values=None,
|
| 198 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 199 |
+
**kwargs,
|
| 200 |
+
) -> dict:
|
| 201 |
+
has_cache = False
|
| 202 |
+
if past_key_values is not None:
|
| 203 |
+
if isinstance(past_key_values, DynamicCache):
|
| 204 |
+
has_cache = past_key_values.get_seq_length() > 0
|
| 205 |
+
elif isinstance(past_key_values, list):
|
| 206 |
+
has_cache = len(past_key_values) > 0 and past_key_values[0] is not None
|
| 207 |
+
if has_cache:
|
| 208 |
+
input_ids = input_ids[:, -1:]
|
| 209 |
+
return {
|
| 210 |
+
"input_ids": input_ids,
|
| 211 |
+
"past_key_values": past_key_values,
|
| 212 |
+
"use_cache": True,
|
| 213 |
+
}
|
| 214 |
+
|
| 215 |
+
def _convert_cache_to_list(self, past_key_values) -> Optional[list]:
|
| 216 |
+
"""Convert DynamicCache to list of (k, v) tuples for our model."""
|
| 217 |
+
if past_key_values is None:
|
| 218 |
+
return None
|
| 219 |
+
if isinstance(past_key_values, list):
|
| 220 |
+
return past_key_values
|
| 221 |
+
if isinstance(past_key_values, DynamicCache):
|
| 222 |
+
if past_key_values.get_seq_length() == 0:
|
| 223 |
+
return None
|
| 224 |
+
return [(layer.keys, layer.values) for layer in past_key_values.layers]
|
| 225 |
+
return None
|
| 226 |
+
|
| 227 |
+
def _convert_list_to_cache(self, kv_list: list) -> DynamicCache:
|
| 228 |
+
"""Convert list of (k, v) tuples to DynamicCache."""
|
| 229 |
+
cache = DynamicCache()
|
| 230 |
+
for i, (k, v) in enumerate(kv_list):
|
| 231 |
+
cache.update(k, v, layer_idx=i)
|
| 232 |
+
return cache
|
| 233 |
+
|
| 234 |
+
def forward(
|
| 235 |
+
self,
|
| 236 |
+
input_ids: torch.Tensor,
|
| 237 |
+
attention_mask: Optional[torch.Tensor] = None,
|
| 238 |
+
labels: Optional[torch.Tensor] = None,
|
| 239 |
+
past_key_values=None,
|
| 240 |
+
use_cache: bool = False,
|
| 241 |
+
**kwargs,
|
| 242 |
+
) -> CausalLMOutputWithPast:
|
| 243 |
+
kv_list = self._convert_cache_to_list(past_key_values)
|
| 244 |
+
|
| 245 |
+
position_offset = 0
|
| 246 |
+
if kv_list is not None:
|
| 247 |
+
position_offset = kv_list[0][0].shape[2]
|
| 248 |
+
|
| 249 |
+
hidden_states, new_kv_list = self.model(input_ids, kv_list, position_offset)
|
| 250 |
+
logits = self.lm_head(hidden_states)
|
| 251 |
+
|
| 252 |
+
loss = None
|
| 253 |
+
if labels is not None:
|
| 254 |
+
shift_logits = logits[..., :-1, :].contiguous()
|
| 255 |
+
shift_labels = labels[..., 1:].contiguous()
|
| 256 |
+
loss = F.cross_entropy(
|
| 257 |
+
shift_logits.view(-1, shift_logits.size(-1)),
|
| 258 |
+
shift_labels.view(-1),
|
| 259 |
+
ignore_index=-100,
|
| 260 |
+
)
|
| 261 |
+
|
| 262 |
+
new_cache = None
|
| 263 |
+
if use_cache:
|
| 264 |
+
new_cache = self._convert_list_to_cache(new_kv_list)
|
| 265 |
+
|
| 266 |
+
return CausalLMOutputWithPast(
|
| 267 |
+
loss=loss,
|
| 268 |
+
logits=logits,
|
| 269 |
+
past_key_values=new_cache,
|
| 270 |
+
)
|
| 271 |
+
|
| 272 |
+
@torch.no_grad()
|
| 273 |
+
def generate_simple(
|
| 274 |
+
self,
|
| 275 |
+
input_ids: torch.Tensor,
|
| 276 |
+
max_new_tokens: int = 512,
|
| 277 |
+
temperature: float = 0.8,
|
| 278 |
+
top_k: int = 50,
|
| 279 |
+
) -> torch.Tensor:
|
| 280 |
+
"""Simple autoregressive generation with KV cache."""
|
| 281 |
+
# Prefill
|
| 282 |
+
hidden_states, kv_caches = self.model(input_ids)
|
| 283 |
+
logits = self.lm_head(hidden_states[:, -1:, :]).squeeze(1)
|
| 284 |
+
cur_len = input_ids.shape[1]
|
| 285 |
+
|
| 286 |
+
for _ in range(max_new_tokens):
|
| 287 |
+
scaled = logits.float() / temperature
|
| 288 |
+
scaled = torch.nan_to_num(scaled, nan=0.0, posinf=1e4, neginf=-1e4)
|
| 289 |
+
if top_k > 0:
|
| 290 |
+
k = min(top_k, scaled.size(-1))
|
| 291 |
+
v, _ = torch.topk(scaled, k)
|
| 292 |
+
scaled[scaled < v[:, [-1]]] = float("-inf")
|
| 293 |
+
probs = F.softmax(scaled, dim=-1)
|
| 294 |
+
next_token = torch.multinomial(probs, 1)
|
| 295 |
+
input_ids = torch.cat([input_ids, next_token], dim=1)
|
| 296 |
+
|
| 297 |
+
hidden_states, kv_caches = self.model(next_token, kv_caches, cur_len)
|
| 298 |
+
logits = self.lm_head(hidden_states).squeeze(1)
|
| 299 |
+
cur_len += 1
|
| 300 |
+
|
| 301 |
+
return input_ids
|
special_tokens.txt
ADDED
|
@@ -0,0 +1,105 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
<BOS>
|
| 2 |
+
<EOS>
|
| 3 |
+
<SEP>
|
| 4 |
+
<PAD>
|
| 5 |
+
<UNK>
|
| 6 |
+
<SEQ>
|
| 7 |
+
<AMR_AMPICILLIN>
|
| 8 |
+
<AMR_BLASTICIDIN>
|
| 9 |
+
<AMR_CHLORAMPHENICOL>
|
| 10 |
+
<AMR_GENTAMICIN>
|
| 11 |
+
<AMR_HYGROMYCIN>
|
| 12 |
+
<AMR_KANAMYCIN>
|
| 13 |
+
<AMR_NEOMYCIN>
|
| 14 |
+
<AMR_PUROMYCIN>
|
| 15 |
+
<AMR_SPECTINOMYCIN>
|
| 16 |
+
<AMR_TETRACYCLINE>
|
| 17 |
+
<AMR_ZEOCIN>
|
| 18 |
+
<BB_LENTIGUIDE_PURO>
|
| 19 |
+
<BB_P1316_IGG2A>
|
| 20 |
+
<BB_PAAV2>
|
| 21 |
+
<BB_PAAV>
|
| 22 |
+
<BB_PCDNA31+>
|
| 23 |
+
<BB_PCDNA31>
|
| 24 |
+
<BB_PCDNA3>
|
| 25 |
+
<BB_PCMV>
|
| 26 |
+
<BB_PCRII_TOPO>
|
| 27 |
+
<BB_PD649>
|
| 28 |
+
<BB_PDONR221>
|
| 29 |
+
<BB_PDONR223>
|
| 30 |
+
<BB_PEGFP_C1>
|
| 31 |
+
<BB_PEGFP_N1>
|
| 32 |
+
<BB_PET28A>
|
| 33 |
+
<BB_PHAGE>
|
| 34 |
+
<BB_PLX_TRC317>
|
| 35 |
+
<BB_PTT3>
|
| 36 |
+
<BB_PUC19>
|
| 37 |
+
<BB_UNKNOWN>
|
| 38 |
+
<COPY_HIGH>
|
| 39 |
+
<COPY_LOW>
|
| 40 |
+
<ELEM_AAV_ITR>
|
| 41 |
+
<ELEM_CMV_ENHANCER>
|
| 42 |
+
<ELEM_CMV_INTRON>
|
| 43 |
+
<ELEM_CPPT>
|
| 44 |
+
<ELEM_GRNA_SCAFFOLD>
|
| 45 |
+
<ELEM_IRES>
|
| 46 |
+
<ELEM_LTR_3>
|
| 47 |
+
<ELEM_LTR_5>
|
| 48 |
+
<ELEM_MCS>
|
| 49 |
+
<ELEM_POLYA_BGH>
|
| 50 |
+
<ELEM_POLYA_SV40>
|
| 51 |
+
<ELEM_PSI>
|
| 52 |
+
<ELEM_TRACRRNA>
|
| 53 |
+
<ELEM_WPRE>
|
| 54 |
+
<ORI_2MU>
|
| 55 |
+
<ORI_COLE1>
|
| 56 |
+
<ORI_F1>
|
| 57 |
+
<ORI_P15A>
|
| 58 |
+
<ORI_PSC101>
|
| 59 |
+
<ORI_RSF>
|
| 60 |
+
<ORI_SV40>
|
| 61 |
+
<PROM_AMPR>
|
| 62 |
+
<PROM_CAG>
|
| 63 |
+
<PROM_CMV>
|
| 64 |
+
<PROM_EF1A>
|
| 65 |
+
<PROM_LAC>
|
| 66 |
+
<PROM_RSV>
|
| 67 |
+
<PROM_SP6>
|
| 68 |
+
<PROM_SV40>
|
| 69 |
+
<PROM_T3>
|
| 70 |
+
<PROM_T5>
|
| 71 |
+
<PROM_T7>
|
| 72 |
+
<PROM_U6>
|
| 73 |
+
<REPORTER_EGFP>
|
| 74 |
+
<REPORTER_GFP>
|
| 75 |
+
<REPORTER_MCHERRY>
|
| 76 |
+
<REPORTER_MEMERALD>
|
| 77 |
+
<REPORTER_NANOLUC>
|
| 78 |
+
<REPORTER_YFP>
|
| 79 |
+
<SP_CELEGANS>
|
| 80 |
+
<SP_DROSOPHILA>
|
| 81 |
+
<SP_ECOLI>
|
| 82 |
+
<SP_HUMAN>
|
| 83 |
+
<SP_MOUSE>
|
| 84 |
+
<SP_RAT>
|
| 85 |
+
<SP_SYNTHETIC>
|
| 86 |
+
<SP_YEAST>
|
| 87 |
+
<SP_ZEBRAFISH>
|
| 88 |
+
<TAG_FLAG>
|
| 89 |
+
<TAG_GST>
|
| 90 |
+
<TAG_HA>
|
| 91 |
+
<TAG_HIS>
|
| 92 |
+
<TAG_MYC>
|
| 93 |
+
<TAG_NLS>
|
| 94 |
+
<TAG_V5>
|
| 95 |
+
<VEC_AAV>
|
| 96 |
+
<VEC_BACTERIAL>
|
| 97 |
+
<VEC_CRISPR>
|
| 98 |
+
<VEC_GATEWAY>
|
| 99 |
+
<VEC_INSECT>
|
| 100 |
+
<VEC_LENTIVIRAL>
|
| 101 |
+
<VEC_MAMMALIAN>
|
| 102 |
+
<VEC_PLANT>
|
| 103 |
+
<VEC_REPORTER>
|
| 104 |
+
<VEC_RETROVIRAL>
|
| 105 |
+
<VEC_YEAST>
|
tokenization_plasmid_lm.py
ADDED
|
@@ -0,0 +1,115 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""HuggingFace-compatible tokenizer for PlasmidLM."""
|
| 2 |
+
|
| 3 |
+
from __future__ import annotations
|
| 4 |
+
|
| 5 |
+
import json
|
| 6 |
+
import os
|
| 7 |
+
import re
|
| 8 |
+
from typing import List, Optional
|
| 9 |
+
|
| 10 |
+
from transformers import PreTrainedTokenizer
|
| 11 |
+
|
| 12 |
+
|
| 13 |
+
DNA_BASES = list("ATCGNatcgn")
|
| 14 |
+
|
| 15 |
+
|
| 16 |
+
class PlasmidLMTokenizer(PreTrainedTokenizer):
|
| 17 |
+
"""Character-level tokenizer for plasmid sequences with special tokens."""
|
| 18 |
+
|
| 19 |
+
vocab_files_names = {"vocab_file": "vocab.json"}
|
| 20 |
+
model_input_names = ["input_ids", "attention_mask"]
|
| 21 |
+
|
| 22 |
+
def __init__(
|
| 23 |
+
self,
|
| 24 |
+
vocab_file: str,
|
| 25 |
+
bos_token: str = "<BOS>",
|
| 26 |
+
eos_token: str = "<EOS>",
|
| 27 |
+
unk_token: str = "<UNK>",
|
| 28 |
+
pad_token: str = "<PAD>",
|
| 29 |
+
sep_token: str = "<SEP>",
|
| 30 |
+
**kwargs,
|
| 31 |
+
):
|
| 32 |
+
# Load vocab before calling super().__init__
|
| 33 |
+
with open(vocab_file, "r") as f:
|
| 34 |
+
data = json.load(f)
|
| 35 |
+
|
| 36 |
+
# Support nested format with "token_to_id" key
|
| 37 |
+
if isinstance(data, dict) and "token_to_id" in data:
|
| 38 |
+
data = data["token_to_id"]
|
| 39 |
+
|
| 40 |
+
# Ensure DNA bases are in the vocab (matching PlasmidTokenizer)
|
| 41 |
+
next_id = max(data.values()) + 1 if data else 0
|
| 42 |
+
for base in DNA_BASES:
|
| 43 |
+
if base not in data:
|
| 44 |
+
data[base] = next_id
|
| 45 |
+
next_id += 1
|
| 46 |
+
|
| 47 |
+
self._vocab = data
|
| 48 |
+
self._id_to_token = {v: k for k, v in self._vocab.items()}
|
| 49 |
+
|
| 50 |
+
# Only pass special tokens that actually exist in the vocab.
|
| 51 |
+
# PreTrainedTokenizer would otherwise create new IDs for them.
|
| 52 |
+
special_kwargs = {}
|
| 53 |
+
for name, tok in [("bos_token", bos_token), ("eos_token", eos_token),
|
| 54 |
+
("unk_token", unk_token), ("pad_token", pad_token),
|
| 55 |
+
("sep_token", sep_token)]:
|
| 56 |
+
if tok in self._vocab:
|
| 57 |
+
special_kwargs[name] = tok
|
| 58 |
+
|
| 59 |
+
super().__init__(**special_kwargs, **kwargs)
|
| 60 |
+
|
| 61 |
+
@property
|
| 62 |
+
def vocab_size(self) -> int:
|
| 63 |
+
return len(self._vocab)
|
| 64 |
+
|
| 65 |
+
@property
|
| 66 |
+
def pad_token_id(self) -> int:
|
| 67 |
+
return self._vocab.get("<PAD>", 0)
|
| 68 |
+
|
| 69 |
+
@property
|
| 70 |
+
def bos_token_id(self) -> int:
|
| 71 |
+
return self._vocab.get("<BOS>", 1)
|
| 72 |
+
|
| 73 |
+
@property
|
| 74 |
+
def eos_token_id(self) -> int:
|
| 75 |
+
return self._vocab.get("<EOS>", 2)
|
| 76 |
+
|
| 77 |
+
@property
|
| 78 |
+
def sep_token_id(self) -> int:
|
| 79 |
+
return self._vocab.get("<SEP>", 3)
|
| 80 |
+
|
| 81 |
+
def get_vocab(self) -> dict:
|
| 82 |
+
return dict(self._vocab)
|
| 83 |
+
|
| 84 |
+
def _tokenize(self, text: str) -> List[str]:
|
| 85 |
+
"""Split into special <...> tokens and individual characters."""
|
| 86 |
+
parts = re.split(r"(<[^>]+>)", text)
|
| 87 |
+
tokens = []
|
| 88 |
+
for part in parts:
|
| 89 |
+
if not part or part.isspace():
|
| 90 |
+
continue
|
| 91 |
+
if part.startswith("<") and part.endswith(">"):
|
| 92 |
+
tokens.append(part)
|
| 93 |
+
else:
|
| 94 |
+
tokens.extend(c for c in part if not c.isspace())
|
| 95 |
+
return tokens
|
| 96 |
+
|
| 97 |
+
def _convert_token_to_id(self, token: str) -> int:
|
| 98 |
+
return self._vocab.get(token, self._vocab.get("<UNK>", 0))
|
| 99 |
+
|
| 100 |
+
def _convert_id_to_token(self, index: int) -> str:
|
| 101 |
+
return self._id_to_token.get(index, "<UNK>")
|
| 102 |
+
|
| 103 |
+
def convert_tokens_to_string(self, tokens: List[str]) -> str:
|
| 104 |
+
return "".join(tokens)
|
| 105 |
+
|
| 106 |
+
def save_vocabulary(self, save_directory: str, filename_prefix: Optional[str] = None) -> tuple:
|
| 107 |
+
if not os.path.isdir(save_directory):
|
| 108 |
+
os.makedirs(save_directory, exist_ok=True)
|
| 109 |
+
vocab_file = os.path.join(
|
| 110 |
+
save_directory,
|
| 111 |
+
(filename_prefix + "-" if filename_prefix else "") + "vocab.json",
|
| 112 |
+
)
|
| 113 |
+
with open(vocab_file, "w") as f:
|
| 114 |
+
json.dump(self._vocab, f, indent=2)
|
| 115 |
+
return (vocab_file,)
|
vocab.json
ADDED
|
@@ -0,0 +1,117 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"<BOS>": 0,
|
| 3 |
+
"<EOS>": 1,
|
| 4 |
+
"<SEP>": 2,
|
| 5 |
+
"<PAD>": 3,
|
| 6 |
+
"<UNK>": 4,
|
| 7 |
+
"<SEQ>": 5,
|
| 8 |
+
"<AMR_AMPICILLIN>": 6,
|
| 9 |
+
"<AMR_BLASTICIDIN>": 7,
|
| 10 |
+
"<AMR_CHLORAMPHENICOL>": 8,
|
| 11 |
+
"<AMR_GENTAMICIN>": 9,
|
| 12 |
+
"<AMR_HYGROMYCIN>": 10,
|
| 13 |
+
"<AMR_KANAMYCIN>": 11,
|
| 14 |
+
"<AMR_NEOMYCIN>": 12,
|
| 15 |
+
"<AMR_PUROMYCIN>": 13,
|
| 16 |
+
"<AMR_SPECTINOMYCIN>": 14,
|
| 17 |
+
"<AMR_TETRACYCLINE>": 15,
|
| 18 |
+
"<AMR_ZEOCIN>": 16,
|
| 19 |
+
"<BB_LENTIGUIDE_PURO>": 17,
|
| 20 |
+
"<BB_P1316_IGG2A>": 18,
|
| 21 |
+
"<BB_PAAV2>": 19,
|
| 22 |
+
"<BB_PAAV>": 20,
|
| 23 |
+
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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| 76 |
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|
| 77 |
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| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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"<VEC_AAV>": 94,
|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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"<VEC_PLANT>": 101,
|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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"A": 105,
|
| 108 |
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"T": 106,
|
| 109 |
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"C": 107,
|
| 110 |
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"G": 108,
|
| 111 |
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"N": 109,
|
| 112 |
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"a": 110,
|
| 113 |
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"t": 111,
|
| 114 |
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"c": 112,
|
| 115 |
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|
| 116 |
+
"n": 114
|
| 117 |
+
}
|