NOVA - SN68

High-throughput ML-driven drug screening.

Accelerating drug discovery, powered by Bittensor.

NOVA harnesses global compute and collective intelligence to navigate huge unexplored chemical spaces, uncovering breakthrough compounds at a fraction of the cost and time.

Installation

Recommended: Ubuntu 24.04 LTS, Python 3.12

python3.12 -m venv <your_env>
source <your_env>/bin/activate
pip install -r requirements1.txt
pip install -r requirements2.txt

Running

For miners:

python3 neurons/miner.py --wallet.name <your_wallet> --wallet.hotkey <your_hotkey> --logging.debug

For validators:

1. DM the NOVA team to obtain an API key.
2. Set validator_api_key=<your_api_key> in your .env file (create it if it doesn’t exist).

Once that is done run:

python3 neurons/validator.py --wallet.name <your_wallet> --wallet.hotkey <your_hotkey> --logging.debug

Configuration for CPU

If you're running on a CPU-only system (no GPU), you will need to modify the PSICHIC/runtime_config.py file:

DEVICE = 'cpu'

Troubleshooting

If you get the error Error running PSICHIC model: 'PsichicWrapper' object has no attribute 'protein_dict', it means the weights are not downloaded correctly on your local machine. You can download the trained weights from our Hugging Face repo and place it in the PSICHIC/trained_weights/PDBv2020_PSICHIC folder by running:

wget -O PSICHIC/trained_weights/PDBv2020_PSICHIC/model.pt \ 
  https://huggingface.co/Metanova/PSICHIC/blob/main/model.pt