LigandMPNN
github.com/dauparas/ligandmpnnExtension of ProteinMPNN for protein sequence design in the context of small-molecule ligands, metal ions, and nucleic acids, enabling binding site engineering and co-factor redesign (Baker Lab)
Sourced from
- Awesome AI for Science — github.com/dauparas/ligandmpnn
- GitHub — github.com/dauparas/ligandmpnn
Related resources
Protein structure prediction
AlphaFold 3 inference pipeline for unified biomolecular structure prediction of proteins, nucleic acids, small molecules, ions, and post-translational modifications (Google DeepMind, Nature 2024)
Deep learning library for Chemistry based on Tensorflow
First fully open-source model achieving AlphaFold3-level accuracy with 1000x faster binding affinity prediction (MIT)
Protein structure prediction from ESM models