wenda8759/AbFlow

Data and Model Weights

All datasets and pre-trained model weights are available on Hugging Face:

🤗 https://huggingface.co/wenda8759/AbFlow

Download Options

Option 1: Using huggingface-cli (Recommended)

# Install huggingface_hub if not already installed
pip install huggingface_hub

# Download all files
huggingface-cli download wenda8759/AbFlow --local-dir ./

# Or download specific files
huggingface-cli download wenda8759/AbFlow checkpoints/multi_cdr_design.ckpt --local-dir ./

Option 2: Using Python

from huggingface_hub import snapshot_download, hf_hub_download

# Download entire repository
snapshot_download(repo_id="wenda8759/AbFlow", local_dir="./")

# Or download specific file
hf_hub_download(
    repo_id="wenda8759/AbFlow",
    filename="checkpoints/multi_cdr_design.ckpt",
    local_dir="./"
)

Model Checkpoints

Model	Description	File
Paratope-Centric Design	Design based on epitope	checkpoints/paratope_centric_design.ckpt
Multi-CDR Design	Design all 6 CDR regions	checkpoints/multi_cdr_design.ckpt
Structure Prediction	Predict antibody structure	checkpoints/structure_prediction.ckpt
Affinity Optimization	Optimize binding affinity	checkpoints/affinity_optimization.ckpt
ΔΔG Predictor	Predict binding energy changes	checkpoints/ddg_predictor.ckpt

Dataset Structure

After downloading, organize your data as follows:

AbFlow/
├── datasets/
│   ├── RAbD/
│   │   ├── train.json
│   │   ├── valid.json
│   │   ├── test.json
│   │   ├── train.pkl
│   │   ├── valid.pkl
│   │   ├── test.pkl
│   │   ├── train_surf.pkl
│   │   ├── valid_surf.pkl
│   │   └── test_surf.pkl
│   └── IgFold/
│       ├── train.json
│       ├── valid.json
│       ├── test.json
│       └── ...
└── checkpoints/
    ├── multi_cdr_design.ckpt
    ├── structure_prediction.ckpt
    └── ...