8000 GitHub - MurrellGroup/PyBoltz.jl: Julia bindings for Boltz-1
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PyBoltz.jl

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Warning

Boltz currently fails when using CPU as accelerator (and thus also GitHub's default CI). See #2 for tracker.

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 = MolecularInput(
    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...)
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