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Docker · Protein structure and design

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1

Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.

K-Dense-AI/scientific-agent-skills48k1 repo~3kAutomated safety check: NotesMIT6 days ago
2
2.Proteinmpnn NimOfficial

Run ProteinMPNN inverse folding via NVIDIA NIM to design protein sequences for a target backbone.

NVIDIA/skills3.6k1 repo~2kAutomated safety check: NotesApache-2.02 days ago
3

First-time setup, environment configuration, and model-weight installation for Proteina-Complexa.

NVIDIA-BioNeMo/bionemo-agent-toolkit479—~3.5kAutomated safety check: NotesUnknown2 days ago
4
4.Openfold2 NimOfficial

A skill your agent uses for OpenFold2, NVIDIA's BioNeMo NIM microservice for monomer protein structure prediction.

NVIDIA/skills3.6k1 repo~1.8kAutomated safety check: NotesApache-2.02 days ago
5
5.Rfdiffusion NimOfficial

Run RFDiffusion protein backbone design via NVIDIA NIM. An agent skill from NVIDIA/skills.

NVIDIA/skills3.6k1 repo~1.3kAutomated safety check: NotesApache-2.02 days ago
6
6.Boltz2 NimOfficial

Use Boltz2 NIM for biomolecular structure prediction and binding affinity.

NVIDIA/skills3.6k1 repo~1.4kAutomated safety check: NotesApache-2.02 days ago