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NVIDIA Details BioNeMo Inference Runtime (BioIR): 2.90x Higher Boltz-2 Folding Throughput and 58.5K Residues per GPU-Hour on 8xH100

NVIDIA released BioNeMo Inference Runtime (BioIR), an open-source PyTorch-compatible library delivering 2.90x higher Boltz-2 protein-folding throughput on 8xH100 GPUs.

NVIDIA detailed BioIR, a Python library that accelerates Boltz-2, OpenFold2, and OpenFold3 structure-prediction inference on NVIDIA GPUs while preserving standard PyTorch workflows. On a matched benchmark of 1,000 human dimers on 8xH100 80GB GPUs, BioIR delivered 58.5K folded residues per GPU-hour versus 20.2K for a torch.compile baseline, a 2.90x throughput gain. BioIR already powered the AlphaFold Database expansion, generating about 31 million candidate complexes across 4,777 proteomes, with 1.81 million released as high-confidence predictions. Extrapolated to 1 million targets, estimated folding energy drops from 35 MWh to 11 MWh at 8-GPU TDP equivalents.

MarkTechPost · 5d agoAI tools & infra1

Implementation of Machine Learning Workflows with NVIDIA cuML, RAPIDS, GPU Benchmarking, Explainability, Clustering, and Model Inference

Hands-on tutorial implements NVIDIA cuML and RAPIDS to GPU-accelerate scikit-learn-style ML workflows with benchmarking, clustering, and inference.

The tutorial demonstrates NVIDIA cuML as a GPU-accelerated machine learning framework, using cuml.accel to speed up unmodified scikit-learn scripts with zero code changes and the native cuML API for CuPy/cuDF interoperability. It benchmarks CPU versus GPU implementations of PCA, K-Means, nearest-neighbor search, logistic regression, random forests, and DBSCAN on datasets up to 200,000 samples with 64 features. It also builds GPU pipelines with UMAP, t-SNE, and HDBSCAN, validates GPU-generated SHAP explanations, uses the FIL library for forest inference, and covers model serialization and GPU/CPU portability.

MarkTechPost · 3d agoAI tools & infra

Saving Jet Fuel

Tutorial optimizes flight paths to cut jet fuel costs using open-source Scikit-decide planning framework and OpenAP aircraft performance models.

A technical walkthrough demonstrates wind-aware flight path optimization using Scikit-decide, an open-source framework for reinforcement learning and automated planning, paired with OpenAP fuel-consumption models built by Dr. Junzi Sun at TU Delft and NOAA wind data. A Boeing 787-9 flying EWR to FCO can require roughly $68K in fuel, and adjusted routing could save thousands. The post uses Python 3.12, DuckDB with spatial extensions, and QGIS for map rendering.