Downloads · 30 days
0
QuPep-GenAI
Akshayuc16/QuPep-GenAI
QuPep-GenAI is a machine learning model from Akshayuc16. Use it for the machine learning task on the model card, and read the license before you ship it in a product.
This repository is intended to host a trained checkpoint (model.pt) for the energy-aware VAE used to sample IDR conformational ensembles.
Access
Public
Updated Jan 9, 2026
Repo size
5.2 MB
Likes
1
Public
Repo makeup
Click a slice to open those files.
.pt5.2 MB · 100%
At a glance
- Access
- Public
- Created
- Jan 8, 2026
- Updated
- Jan 9, 2026
- SHA
- d3ad8ef7
Model card
From the Hugging Face model README
IDR Energy-aware VAE (Sampler)
This repository is intended to host a trained checkpoint (model.pt) for the energy-aware VAE used to sample IDR conformational ensembles.
Files
model.pt: PyTorch checkpoint produced by the training step inidr_quantum_genai_pipeline.py.inference.py: Inference-only loader + sampler utilities (no Qiskit dependencies).
How to sample locally
python -c "import torch; from inference import load_model_from_checkpoint, sample_ensemble_arrays; m=load_model_from_checkpoint('model.pt','cpu'); out=sample_ensemble_arrays(m,'DSKRETYS',n_samples=100); print(out['energy'][:5], out['angles'].shape)"
Notes
- Energies are model-predicted energies (learned surrogate), not an ab initio physics calculation.
- The public Space should cap
n_samplesto avoid timeouts.
- Created
- Jan 8, 2026
- Updated
- Jan 9, 2026