--- title: Installation Guide --- # Installing AIDE AIDE is designed with a modular architecture to minimize dependency conflicts while providing access to a wide range of protein prediction tools. The base package has minimal dependencies and provides core functionality, while additional components can be installed based on your specific needs. ## Quick Install The package is not currently available on PyPI, please clone the repo: ```bash git clone https://github.com/beckham-lab/aide_predict ``` For basic functionality, simply install AIDE using: ```bash # Create and activate a new conda environment conda env create -f environment.yaml # Install AIDE pip install . ``` ## Supported Tools by Installation Level AIDE provides bespoke embedders and predictors as additional modules that can be installed. These fall into three categories, with environment weight in mind: those available in the base package, those that can be installed with minimal additional pip dependencies, and those that should be built as an independant environment. ### Base Installation The base installation provides: - Core data structures for protein sequences and structures - Sequence alignment utilities - One-hot encoding embeddings - K-mer based embeddings - Basic Hidden Markov Model support - mmseqs2 MSA generation pipeline ### Minor Pip Dependencies #### Pure `transformers` models ESM2 and SaProt can be defined with the transformers library. To install these models: ```bash pip install -r requirements-transformers.txt ``` This enables: - ESM2 embeddings and likelihood scoring - SaProt structure-aware embeddings and scoring #### MSA Transformer MSA transformer requires bespoke components from fair-esm: ```bash pip install -r requirements-fair-esm.txt ``` This enables: - MSA transformer embeddings and likelihood scoring #### EVmutation For evolutionary coupling analysis: ```bash pip install -r requirements-evmutation.txt ``` This enables: - EVMutation for protein mutation effect prediction #### VESPA Integration For conservation-based variant effect prediction: ```bash pip install -r requirements-vespa.txt ``` ### Independent Environment #### EVE Integration EVE requires special handling due to its complex environment requirements: 1. Clone the EVE repository outside your AIDE directory: ```bash git clone https://github.com/OATML/EVE.git ``` 2. Set required environment variables: ```bash export EVE_REPO=/path/to/eve/repo ``` 3. Create a dedicated conda environment for EVE following their installation instructions. 4. Set the EVE environment name: ```bash export EVE_CONDA_ENV=eve_env ``` ## Verifying Your Installation You can check which components are available in your installation: ```python from aide_predict.utils.checks import get_supported_tools print(get_supported_tools()) ``` ## Common Installation Issues ### CUDA Compatibility If you're using GPU-accelerated components (ESMFold, transformers), ensure your CUDA drivers are compatible: - Check CUDA version: `nvidia-smi` - Match PyTorch installation with CUDA version - For Apple Silicon users: Some components may require alternative installations