---
license: apache-2.0
tags:
  - protein-ligand
  - blood-brain-barrier
  - drug-discovery
  - PSICHIC
---

# PSICHIC Multitask BBB Weights

Pre-trained [PSICHIC](https://github.com/ATTN-Lab) weights for blood-brain barrier protein-ligand affinity prediction.

## Files
- **model.pt** (23MB) — GNN model weights
- **degree.pt** (2.4KB) — Degree tensor for PNA aggregation
- **config.json** (1KB) — Model architecture configuration

## Usage with BBB-Nuke

These weights are automatically downloaded by the BBB-Nuke pipeline when PSICHIC inference is needed for efflux transporter screening.



## Model Details

- **Architecture**: PSICHIC (Protein-Sequence-Informed Chemical Interaction Classifier)
- **Training**: Multitask (regression + 3-class classification)
- **Hidden channels**: 200
- **Layers**: 3 (PNA with mean/min/max/std aggregation)
- **Heads**: 5 (attention)

## Citation

If you use these weights, please cite the PSICHIC paper and the BBB-Nuke pipeline.