| # NexaMass Runtime | |
| `nexamass_encoder.py` is a minimal PyTorch loader for the model-state files in this repository. | |
| Recommended checkpoint for inference: | |
| ```python | |
| from runtime.nexamass_encoder import ModelConfig, load_nexamass_model_state | |
| model = load_nexamass_model_state("weights/NexaMass-V3-Struct-model_state.pt", ModelConfig()) # PyTorch fallback | |
| # Safetensors weights are also provided for safer tensor-only loading: weights/NexaMass-V3-Struct-model_state.safetensors | |
| ``` | |
| Use `weights/NexaMass-V3-Struct-model_state.safetensors` for the RDKit/Morgan-aligned model and `weights/Final_V3-model_state.safetensors` for the self-supervised foundation parent. PyTorch model-state `.pt` fallbacks are also included. Optimizer-bearing full training checkpoints remain in object storage and are intentionally excluded from this public HF payload. | |