OpenFold through OpenFE

Cofold a series of ligands against one protein, then plan the RBFE network over them.

Protein

One chain, as FASTA. The example is the TYK2 pseudokinase domain construct the OpenFE cookbook folds.

Sequence0 residuesChain id

Ligands

Every molecule is cofolded against the protein and is a node of the planned network.

Add SDF files

No files yet.

0 ligands in total

OpenFold3 runLigand chain id

SeedSamplesper query

Structure formatOpenFE needs PDB; mmCIF is the runner's default

Atom mapping

Mappings become the edges of the network; each one is scored, and the score is the edge weight.

Mapper

timesmax3dÅ

threedUse atom positions to prune symmetric mappings.element_changeAllow a mapping to change an atom's element.

Scorer

lomap_scorers.default_lomap_score

Network plannerStrategy

The demo backend returns the ten precomputed OpenFold3 TYK2 complexes and the planned network for the same ten ligands. Every request, upload and poll is real; the computation behind them is not.

No SMILES for any ligand, which every backend requires.

Submit→Upload→Poll→Done

Run the workflow to see outputs here.