Property prediction · Protein Design

ThermoMPNN

A graph neural network (GNN) trained using transfer learning to predict changes in stability for protein point mutants

A deep learning–based method for predicting thermostability changes quickly and accurately given only an initial protein structure.

Documentation ↗ Input parameters ↗ Examples ↗ Paper ↗ Source code ↗ License ↗

No jobs before this; it will run immediately.

Not logged in. Register an account to keep track of your jobs and results, and add presets and bookmarks. Email results to this address when complete:

Ready

Example preset

Choose an example to fill in its settings and input structures.

Inputs

Official documentation ↗

Job name A label for this run and its results.

Protein structure PDB structure used for ThermoMPNN site-saturation mutagenesis. In this form: Upload PDB text or choose a preset with the official 2OCJ example. ThermoMPNN writes one CSV containing every standard amino-acid substitution for the selected chain.

Chain to scan Single PDB chain to score. The upstream default is A; leave blank to use the first chain in the structure.

These local CLI options are not applicable to Bio Web and are omitted from its inputs:

model_path: The service uses the official ThermoMPNN checkpoint installed with the source checkout.
out_dir: The service creates a separate output directory for each job and archives the resulting CSV.

Ready