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psichic-multitask-bbb
temisobodu/psichic-multitask-bbb
psichic-multitask-bbb is a machine learning model from temisobodu. Use it for the machine learning task on the model card, and read the license before you ship it in a product. The card lists the license as apache-2.0.
Pre-trained PSICHIC weights for blood-brain barrier protein-ligand affinity prediction.
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.pt50.3 MB · 100%
At a glance
- License
- apache-2.0
- Access
- Public
- Created
- Mar 2, 2026
- Updated
- Mar 3, 2026
- SHA
- 63fe2f34
Model card
From the Hugging Face model README
PSICHIC Multitask BBB Weights
Pre-trained PSICHIC 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.
- License
- apache-2.0
- Created
- Mar 2, 2026
- Updated
- Mar 3, 2026