TopologyNet Binding Affinity Prediction
Predictor for protein-ligand binding affinity based on persistent homology and convolutional neural network.
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User Guide
Input
(The 3D structures of protein and ligand in bound position.)
- Protein File: The protein file in PDB format.
- Ligand File: The ligand file in mol2 format.
- Through Email: Once the job is done, an email with a download link will be sent.
Reference
[1] Cang Z, Wei G (2017) TopologyNet: Topology based deep convolutional and multi-task neural networks for biomolecular property predictions. PLOS Computational Biology 13(7): e1005690. https://doi.org/10.1371/journal.pcbi.1005690