Downloads

Get MAPLE from our GitHub repository and follow the installation instructions below.

Download MAPLE from GitHub →

Installation

Requirements

  • Python ≥ 3.9
  • CUDA-capable GPU (recommended for ML models)

Install MAPLE

# Clone the repository
git clone https://github.com/ClickFF/MAPLE.git
cd MAPLE

# Install in development mode
pip install -e .

Install Dependencies

MAPLE requires several scientific computing and machine learning packages:

Core dependencies (required)

conda install -c conda-forge numpy scipy matplotlib ase

PyTorch

Install PyTorch based on your system configuration:

# For CUDA 11.8:
pip install torch --index-url https://download.pytorch.org/whl/cu118

# For CPU only:
pip install torch --index-url https://download.pytorch.org/whl/cpu

Machine learning potentials

pip install fairchem-core # For AIMNet2 and ANI models