Hugging Face's logo

AethronPhantom
/
NexaMass-V3-Struct

Feature Extraction
PyTorch
nexamass
mass-spectrometry
msms
metabolomics
representation-learning
self-supervised-learning
molecular-fingerprints
rdkit
morgan-fingerprints
retrieval
chemistry
Eval Results (legacy)
Model card Files
xet
 Community
1
NexaMass-V3-Struct / runtime /README.md
Allanatrix's picture
Allanatrix
Upload NexaMass V3 safetensors weights and release metadata
97ced61 verified
preview code
|
raw
history blame contribute delete
850 Bytes

NexaMass Runtime

nexamass_encoder.py is a minimal PyTorch loader for the model-state files in this repository.

Recommended checkpoint for inference:

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.