PyBoltz.jl

Julia bindings for Python's boltz for biomolecular structure prediction.

Installation

using Pkg
pkg"add PyBoltz"

Quickstart

In-memory input/output

using PyBoltz, PyBoltz.Schema

input = BoltzInput(
    sequences = [
        protein(id="A", sequence="TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN", msa="empty"),
    ]
)

using BioStructures: MolecularStructure

predicted_structure = predict(input, MolecularStructure)

boltz predict command binding

using PyBoltz

PyBoltz.predict(input_path; options...)