This is a test version of Biostars. For the public version, visit https://www.biostars.org.
Tool: ProteinFP: End-to-end protein function prediction from structure alone (active sites, binding pockets, PPIs, drug targets)

ProteinFP is an open-source computational pipeline that predicts protein function from structure + sequence evidence, no experimental annotations required.

What it predicts:

  • Active sites and catalytic residues
  • Binding interfaces and pockets
  • Allosteric sites
  • Chemical environment per residue
  • Protein-protein interactions
  • GO term annotations (MF, BP, CC)
  • Drug target modality recommendations (small molecule, ADC, CAR-T, PROTAC)
  • Small Molecule and Antibody Evolutionary Engine

How it works: Input is a UniProt ID. The pipeline fetches the AlphaFold structure, runs homology search (BLAST vs Swiss-Prot + InterProScan), and passes results through 13 chained modules to produce a full function report. Validation: Tested on 75+ well-characterised proteins spanning kinases, proteases, transcription factors, and GTPases. Mean GO recall >0.94 across MF/BP/CC. Quick start:

pip install proteinfp
proteinfp --uniprot P28593   # Trypanothione reductase (Chagas disease)

PyPi: ProteinFP PyPi | GitHub: ProteinFP GitHub | Feedback and contributions welcome!

protein-function alphafold

Github link is broken. Private repo?

Yes, sorry about that. The repo was private while I was still cleaning things up. It should be public now: ProteinFP GitHub

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