Assuming a CLI tool after pip install lunanom :
You have just run your first 50-nanosecond simulation of a polymer-wrapped carbon nanotube. You need to compute the solvent-accessible surface area (SASA) and the radius of gyration. Lunanom’s md-analysis repository includes one-liner functions that save you from writing hundreds of lines of messy Python. lunanom github
You need a large, clean dataset of nanoparticle stability to train a graph neural network. Instead of generating data from scratch (which could take months of compute time), you can download the lunanom/datasets repository and immediately have a labeled training set ready for PyTorch Geometric. Assuming a CLI tool after pip install lunanom
lunanom/ ├── features/ # YAML/JSON per feature │ └── 34.12S_151.23E_crater.yaml ├── resources/ # Ice, He-3, metals │ └── Shackleton_ice_deposit.yaml ├── missions/ # Artificial objects │ └── chandrayaan-2_lander.yaml ├── proposals/ # Pull request templates ├── discussions/ # GitHub Issues for debates └── schema/ # JSON schema for validation You need a large, clean dataset of nanoparticle