InstallationΒΆ

We recommend using Conda to create a Python environment for using Full-DIA, whether on Windows or Linux.

  1. Create a Python environment with version 3.9.18.

    conda create -n full_env python=3.12
conda activate full_env

  2. Install the corresponding PyTorch and CuPy packages based on your CUDA version (which can be checked using the nvidia-smi command). Full-DIA requires an NVIDIA GPU with more than 10 GB of VRAM, a minimum of 64 GB RAM, and a high-performance Intel CPU.

  • CUDA-12

    pip install torch==2.3.1 --index-url https://download.pytorch.org/whl/cu121
conda install cudatoolkit

  • CUDA-11

    pip install torch==2.3.1 --index-url https://download.pytorch.org/whl/cu118
conda install cudatoolkit

  1. Install Full-DIA

    pip install full_dia[cuda11] or pip install full_dia[cuda12]

  • Alternatively, you can create a Conda environment with Full-DIA in one command:

    conda env create -f https://raw.githubusercontent.com/xomicsdatascience/full_dia/main/requirements/fulldia_cuda12.yml