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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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Protein Ligand Docking

Unimol DockingV2

1-5 minutesPaperNeed Code Links

State of the art protein-ligand docking

Job Name

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EXAMPLES

Protein File *Ligand File *Box Center X *Box Center Y *Box Center Z *Width *Height *Depth *

Unimol DockingV2 uses Tamarind API type unimol2.

Readiness

Readiness: Need Code Links
Smoke: passed
Artifacts: passed
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.

PLACER

Protein-ligand docking

Protein Ligand Docking

Autodock Vina

Protein-ligand docking

Protein Ligand Docking

DiffDock

Protein-ligand docking with diffusion models

Protein Ligand Docking

SurfDock

Surface-informed diffusion model for protein-ligand docking

Protein Ligand Docking

Smina

Modified AutoDock, (unconventional) small molecule docking

Protein Ligand Docking