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GPU backend: Boltz-2 submits through the Slurm/Singularity runner adapter. Other tools stay visible until their adapters are configured.

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Structure Prediction & Folding

RoseTTAFold All-Atom (from NS)

Need Code Links

Protein folding model that supports proteins, nucleotides, ligands, metal ions, and other small molecules.

Job Name

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EXAMPLES

Protein Sequence *Protein StructureMSA File

Ligand Input TypeLigand SMILESLigand File

Additional MoleculesSamples

Source: NeuroSnap.

Readiness

Readiness: Need Code Links
Smoke: not_tested
Artifacts: not_applicable
Production: not_started
Storage: not listed
Strategy: pause; identify upstream code
Next: Find/confirm exact upstream code link before install.

No code link in catalog; pause until upstream package/repo is identified.

LMI4Boltz (from NS)

Boltz-2-compatible low-memory fork with extra chunking and bfloat16 controls.

Structure Prediction & Folding

RoseTTAFold2 (from NS)

Protein structure prediction that's faster than AlphaFold2 and just as accurate.

Structure Prediction & Folding

CryoAtom Cryo-EM Model Builder (from NS)

CryoAtom builds atomic models from cryo-EM maps using local attention and 3D rotary position embedding, improving model completeness and speed while lowering resolution requirements.

Structure Prediction & Folding

DeepEMhancer (from NS)

DeepEMhancer is a deep learning approach for automatic post-processing of cryo-EM maps, performing masking and sharpening in a single step to improve interpretability.

Structure Prediction & Folding

CryoSAMU (from NS)

CryoSAMU enhances intermediate-resolution cryo-EM maps using a structure-aware multimodal U-Net, integrating map features with protein language model embeddings for faster, high-quality results.

Structure Prediction & Folding