Release Notes

Summary

Initial release of the NVIDIA NIM for RFD4-Proteina, a generative protein design model developed by the Baker Laboratory in collaboration with NVIDIA.

Key Features

• Seven design tasks: generation, motif_scaffolding, enzyme_design, small_molecule_binder, antibody_design, partial_diffusion, and inverse_folding. Refer to Overview for what each does.
• Two input dialects: a self-contained annotated mmCIF, or a condition spec plus its referenced structure files.
• Three execution backends: oss_eager and oss_torch_compile (the upstream reference implementation, uncompiled or torch.compile-compiled), and bioir, an NVIDIA-accelerated trunk built on the BioNeMo Inference Runtime. bioir is the default; selectable per deployment via NIM_BACKEND. Refer to Configuration Alternatives.
• Three named recycle schedules, spelled as the checkpoint’s own configuration: thinking_low (110 trunk passes), thinking_medium (185, the default) and thinking_high (295), all at 60 integration steps. A sampling.recycle_schedule block accepts custom [steps, depth] bands for deployments that want to explore beyond them, bounded by NIM_MAX_TRUNK_PASSES. Refer to Recycle Schedules.
• Reward-guided beam search: an optional search block turns a request into a beam search over the generation trajectory, branching and pruning candidates against a weighted combination of metrics rather than returning one unguided sample. A search runs one replicate at a time (sampling.batch_size: 1); refer to Replicates and Batching.
• Batched replicates: sampling.num_replicates is evaluated in a single forward pass by default, and sampling.batch_size trades that back for per-design seed replay or for a lower memory ceiling. The replicate count carries no fixed limit, since what a GPU can serve depends on the token count; an oversized request is answered with out_of_memory (HTTP 413) naming the fields to change. Refer to Replicates and Batching.
• Design metrics selected by tag, including TMol-based interface energies (ligand_interface). A tag the running deployment cannot satisfy is rejected at request time rather than silently producing no output. The antibody tag is a refolding tag despite not being named *_refolding, and like the others needs a mounted oracle; refer to Oracles.
• Mountable refolding oracle: an operator-mounted structure-prediction oracle can score each design and report eleven in-silico pass criteria (unconditional, PPI, antibody, DNA, motif-scaffold, internal-coordinates, small-molecule-binder, AME, AME-no-ligand, DISCO, developability) as part of the response’s aggregated metrics. No oracle is built in; refer to Oracles.