LigandMPNN
Inverse folding that is aware of ligands, nucleotides and metals.
Justas Dauparas, Institute for Protein Design, University of Washington
What it does
Inverse folding that sees the non-protein context. Input: a PDB containing the protein plus ligands, nucleotides, metals or waters; output: sequences designed around that context, with side-chain packing - the right choice for binding pockets and metal sites.
Commercial use
Commercial use OKLicence as writtenMIT License
MIT LICENSE file in the repo; no field-of-use restriction.
The licence read at the source allows use by a company. Attribution or copyleft conditions may still apply — read the note.
Is commercial use free of charge?
Free for commercial useNothing to pay: the licence read at the source grants commercial use with no fee, and the code and weights are public downloads. You still pay for your own compute.
Price and rights are separate: this panel is about money, the panel above is about permission.
When to use it
Use instead of ProteinMPNN when the binding site contains a small molecule, nucleic acid or metal that must be respected. Overkill for plain protein-protein interfaces.
Facts
- Maker
- Justas Dauparas, Institute for Protein Design, University of Washington
- Cost for commercial use
- Free for commercial use
- Compute
- Single GPU
- Open weights
- Yes
- Licence
- MIT License
- Official site / repo
- github.com/dauparas/LigandMPNN
- Paper
- nature.com
- Last verified
Get told when a licence changes
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