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README.md
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# PDeepPP: A Comprehensive Protein Language Model Hub
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PDeepPP is a hybrid protein language model designed to predict post-translational modification (PTM) sites, analyze biologically relevant features, and support a wide range of protein sequence analysis tasks. This repository serves as the central hub for accessing and exploring various specialized PDeepPP models, each fine-tuned for specific tasks, such as PTM site prediction, bioactivity analysis, and more.
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## Overview
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PDeepPP integrates state-of-the-art transformer-based self-attention mechanisms with convolutional neural networks (CNNs) to capture both global and local features in protein sequences. By leveraging pretrained embeddings from `ESM` and incorporating modular architecture components, PDeepPP offers a robust framework for protein sequence analysis.
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This repository contains links to multiple task-specific PDeepPP models. These models are pre-trained or fine-tuned on publicly available datasets and are hosted on Hugging Face for easy access.
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---
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## Key Features
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- **Flexible Architecture**: Combines self-attention and convolutional operations for robust feature extraction.
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- **Task-Specific Models**: Includes pre-trained models for PTM prediction, bioactivity classification, and more.
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- **Dataset Support**: Models are validated on datasets such as PTM and BPS, ensuring performance on real-world tasks.
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- **Extensibility**: Users can fine-tune the models on custom datasets for new tasks.
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---
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## Available Models
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### General Models
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- [PDeepPP Main](https://huggingface.co/fondress/PDeepPP)
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### Task-Specific Models
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#### Post-Translational Modifications (PTMs)
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- [PDeepPP Phosphorylation (Serine)](https://huggingface.co/fondress/PDeepPP_Phosphoserine)
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- [PDeepPP Phosphorylation (Tyrosine)](https://huggingface.co/fondress/PDeepPP_Phosphorylation-Y)
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- [PDeepPP Glycosylation (N-linked)](https://huggingface.co/fondress/PDeepPP_N-linked-glycosylation-N)
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- [PDeepPP Glycosylation (O-linked)](https://huggingface.co/fondress/PDeepPP_O-linked-glycosylation)
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- [PDeepPP Methylation (Lysine)](https://huggingface.co/fondress/PDeepPP_Methylation-K)
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- [PDeepPP Methylation (Arginine)](https://huggingface.co/fondress/PDeepPP_Methylation-R)
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- [PDeepPP SUMOylation](https://huggingface.co/fondress/PDeepPP_SUMOylation)
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- [PDeepPP Ubiquitin](https://huggingface.co/fondress/PDeepPP_Ubiquitin)
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#### Bioactivity Prediction
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- [PDeepPP ACE](https://huggingface.co/fondress/PDeepPP_ACE)
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- [PDeepPP BBP](https://huggingface.co/fondress/PDeepPP_BBP)
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- [PDeepPP DPPIV](https://huggingface.co/fondress/PDeepPP_DPPIV)
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- [PDeepPP Toxicity](https://huggingface.co/fondress/PDeepPP_Toxicity)
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- [PDeepPP Antimalarial](https://huggingface.co/fondress/PDeepPP_Antimalarial-main)
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- [PDeepPP Anticancer](https://huggingface.co/fondress/PDeepPP_Anticancer-main)
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- [PDeepPP Antiviral](https://huggingface.co/fondress/PDeepPP_Antiviral)
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- [PDeepPP Antioxidant](https://huggingface.co/fondress/PDeepPP_Antioxidant)
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- [PDeepPP Antibacterial](https://huggingface.co/fondress/PDeepPP_Antibacterial)
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- [PDeepPP Antifungal](https://huggingface.co/fondress/PDeepPP_Antifungal)
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- [PDeepPP Bitter](https://huggingface.co/fondress/PDeepPP_bitter)
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- [PDeepPP Umami](https://huggingface.co/fondress/PDeepPP_umami)
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- [PDeepPP Quorum](https://huggingface.co/fondress/PDeepPP_Quorum)
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- [PDeepPP TTCA](https://huggingface.co/fondress/PDeepPP_TTCA)
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---
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## Model Architecture
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PDeepPP is built on a hybrid architecture that includes:
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- **Self-Attention Global Features**: Captures long-range dependencies in protein sequences.
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- **TransConv1d Module**: Combines transformer layers with convolutional layers for local feature extraction.
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- **PosCNN Module**: Incorporates position-aware convolutional operations to enhance sequence representation.
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---
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## How to Use
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To use any of the models, you need to install the required dependencies, such as `torch` and `transformers`:
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```bash
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pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118
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pip install transformers
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```
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Here’s a quick example of how to load and use a model:
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```python
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from transformers import AutoModel, AutoTokenizer
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# Load the model
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model_name = "fondress/PDeepPP_ACE"
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model = AutoModel.from_pretrained(model_name, trust_remote_code=True)
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# Example input
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protein_sequence = "VELYP"
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# Preprocess the sequence (refer to specific model documentation for preprocessing steps)
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# Forward pass
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outputs = model(input_ids=processed_input)
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logits = outputs.logits
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```
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## Training and Customization
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You can fine-tune PDeepPP for custom tasks using your own datasets. The model supports:
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- **Custom PTM types**: Extend the model to predict additional post-translational modifications.
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- **Sequence classification tasks**: Adapt the model to classify protein sequences based on custom labels.
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- **Feature extraction for downstream analyses**: Use PDeepPP to generate embeddings for tasks like clustering or similarity calculation.
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Refer to the `PDeepPPConfig` class in the source repository for details on available hyperparameters and customization options.
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---
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## Citation
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If you use any of the PDeepPP models in your research, please cite the associated paper or repository:
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```
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@article{your_reference,
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title={`PDeepPP`: A Hybrid Model for Protein Sequence Analysis},
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author={Author Name},
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journal={Journal Name},
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year={2025}
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}
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```
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