Quick Start
Requirements
- Python 3.11
- Conda or Miniconda
- Git
Installation
The setup script automatically:
- Creates the
ia_nanoconda environment (Python 3.11) - Installs all scientific dependencies (ASE, RDKit, OpenMM)
- Registers the Jupyter kernel
- Verifies the installation
Launch Jupyter
API Keys (optional)
For units that use LLMs, create a .env file in the root:
Free Tier
All notebooks include local fallbacks when API quotas are exhausted. The course works without paid API keys.