installation.md

⚙️ Installation

To more complete installation instructions and usage, please refer below.

1. Clone the repository

   git clone https://github.com/IntelliGen-AI/IntelliFold.git
   cd IntelliFold

2. Create and activate the environment(recommended)

   conda env create -f environment.yaml
   conda activate intellifold

3. Install the package

   • From PyPI (recommended):

     pip install intellifold

   • From local wheel:

     pip install pypi/intellifold-2.0.2-py3-none-any.whl

   • Editable install:

     pip install -e .

4. (Optional) Download IntelliFold Cache Data Manually
   By default, model weights and CCD data are downloaded automatically(the directory is ~/.intellifold) when you run the inference. But you can also download by yourself. To download manually from Our HuggingFace Repository:

   You can use HF_ENDPOINT=huggingface.co or HF_ENDPOINT=hf-mirror.com depending on your network.

   HF_ENDPOINT=huggingface.co bash download_cache_data.sh

   Your directory should look like:

   cache_data/
   |---intellifold_v2_flash.pt
   |---intellifold_v2.pt
   ├── intellifold_v0.1.0.pt
   ├── ccd.pkl
   ├── unique_protein_sequences.fasta
   ├── unique_nucleic_acid_sequences.fasta
   ├── protein_id_groups.json
   └── nucleic_acid_id_groups.json
   

   Place the downloaded files in the cache_data/ directory before running inference.