Installation Guide

Prerequisites

Tool	Version	Notes
Python	3.11	Via conda recommended
Conda	Latest	Miniconda or Anaconda
Git	Latest
RAM	8 GB min	16 GB recommended for Unit 5
Disk	5 GB	For conda environment + notebooks

Automatic Installation

WindowsLinux / macOS

setup.bat

chmod +x setup.sh && ./setup.sh

Manual Installation

conda create -n ia_nano python=3.11 -y
conda activate ia_nano
pip install -r requirements.txt
python -m ipykernel install --user --name ia_nano --display-name "Python (ia_nano)"

Verify

python verify_installation.py

Expected output:

✓ ASE installed
✓ RDKit installed
✓ PyTorch installed
✓ Google ADK installed
✓ LangChain installed
✓ All checks passed

Troubleshooting

RDKit not found

conda install -c conda-forge rdkit

OpenMM GPU issues

conda install -c conda-forge openmm cudatoolkit

Google ADK import errors

pip install google-adk --upgrade

Tip

See INSTALL.md in the repository for the complete troubleshooting guide.