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BoltzGen:Toward Universal Binder Design

Hannes Stark, Felix Faltings, MinGyu Choi, Yuxin Xie, Eunsu Hur, Timothy O’Donnell, Anton Bushuiev, Talip Uçar, Saro Passaro, Weian Mao, Mateo Reveiz, Roman Bushuiev, Tomáš Pluskal, Josef Sivic, Karsten Kreis, Arash Vahdat, Shamayeeta Ray, Jonathan T. Goldstein, Andrew Savinov, Jacob A. Hambalek, Anshika Gupta, Diego A. Taquiri-Diaz, Yaotian Zhang, A. Katherine Hatstat, Angelika Arada, Nam Hyeong Kim, Ethel Tackie-Yarboi, Dylan Boselli, Lee Schnaider, Chang C. Liu, Gene-Wei Li, Denes Hnisz, David M. Sabatini, William F. DeGrado, Jeremy Wohlwend, Gabriele Corso, Regina Barzilay, Tommi Jaakkola

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Tags: Bioinformatics, Biology, Biomolecules, nVidia, nVidia A100, Package

December 21, 2025 by hgpu

Analyzing the Performance Portability of SYCL across CPUs, GPUs, and Hybrid Systems with Protein Database Search

Manuel Costanzo, Enzo Rucci, Carlos García-Sánchez, Marcelo Naiouf, Manuel Prieto-Matías

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Tags: AMD Radeon RX 6700 XT, AMD Radeon RX Vega 6, ATI, Bioinformatics, Biology, Computer science, CUDA, Databases, Heterogeneous systems, HPC, Intel, Intel Arc A770, Intel UHD 630, Intel UHD 770, nVidia, nVidia GeForce GTX 1080, nVidia GeForce GTX 980, nVidia GeForce RTX 2070, nVidia GeForce RTX 3070, nVidia GeForce RTX 3090, oneAPI, Package, performance portability, SYCL, Tesla V100

December 15, 2024 by hgpu

gpuPairHMM: High-speed Pair-HMM Forward Algorithm for DNA Variant Calling on GPUs

Bertil Schmidt, Felix Kallenborn, Alexander Wichmann, Alejandro Chacon, Christian Hundt

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Tags: Bioinformatics, Biology, Computer science, CUDA, FPGA, Genomics, nVidia, nVidia A100, nVidia H100, nVidia L4, nVidia L40s, nVidia V100, Package

November 24, 2024 by hgpu

DNA sequence alignment: An assignment for OpenMP, MPI, and CUDA/OpenCL

Arturo Gonzalez-Escribano, Diego García-Álvarez, Jesús Cámara

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Tags: Bioinformatics, Biology, CUDA, MPI, nVidia, nVidia A100, nVidia GeForce GTX Titan X, nVidia GeForce RTX 4050, OpenCL, Optimization, Sequence alignment

September 15, 2024 by hgpu

From GPUs to AI and quantum: three waves of acceleration in bioinformatics

Bertil Schmidt, Andreas Hildebrandt

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Tags: Artificial intelligence, Bioinformatics, Biology, Chemistry, Neural networks, Quantum computing

May 20, 2024 by hgpu

Assessing opportunities of SYCL for biological sequence alignment on GPU-based systems

Manuel Costanzo, Enzo Rucci, Carlos García-Sanchez, Marcelo Naiouf, Manuel Prieto-Matías

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Tags: AMD Radeon RX 6700 XT, AMD Radeon RX Vega 6, ATI, Bioinformatics, Biology, Computational biology, CUDA, Heterogeneous systems, Intel Arc A770, Intel UHD 630, nVidia, nVidia GeForce GTX 1080, nVidia GeForce GTX 980, nVidia GeForce RTX 2070, nVidia GeForce RTX 3090, nVidia V100, oneAPI, Package, Sequence alignment, SYCL

February 25, 2024 by hgpu

Accelerating bioinformatics applications on CUDA-enabled multi-GPU systems

Robin Kobus

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Tags: Bioinformatics, Biology, CUDA, Databases, Hashing, nVidia, nVidia Quadro GV100, Package, Sequence alignment, Tesla P100, Tesla V100, Thesis

November 27, 2023 by hgpu

A Comparison of the Performance of the Molecular Dynamics Simulation Package GROMACS Implemented in the SYCL and CUDA Programming Models

Leonard Apanasevich, Yogesh Kale, Himanshu Sharma, Ana Marija Sokovic

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Tags: Benchmarking, Bioinformatics, Biology, Chemistry, Computer science, CUDA, Heterogeneous systems, Molecular dynamics, nVidia, nVidia A100, nVidia P100, nVidia V100, OpenCL, OpenMP, Performance, SYCL

November 5, 2023 by hgpu

Experience Migrating OpenCL to SYCL: A Case Study on Searches for Potential Off-Target Sites of Cas9 RNA-Guided Endonucleases on AMD GPUs

Zheming Jin, Jeffrey S. Vetter

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Tags: AMD Radeon Instinct MI100, AMD Radeon Instinct MI60, AMD Radeon VII, ATI, ATI Radeon HD 7870, Bioinformatics, Biology, OpenCL, performance portability, RNA, SYCL

October 1, 2023 by hgpu

Comparing Performance and Portability between CUDA and SYCL for Protein Database Search on NVIDIA, AMD, and Intel GPUs

Manuel Costanzo, Enzo Rucci, Carlos García Sánchez, Marcelo Naiouf, Manuel Prieto-Matías

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Tags: AMD Radeon RX 6700 XT, ATI, Bioinformatics, Biology, Computer science, CUDA, Intel, Intel UHD 630, nVidia, nVidia GeForce GTX 1080, nVidia GeForce GTX 980, nVidia GeForce RTX 2070, nVidia GeForce RTX 3070, nVidia GeForce RTX 3090, oneAPI, Programming Languages, Smith-Waterman algorithm, SYCL, Tesla V100

September 24, 2023 by hgpu

minimap2-fpga: Integrating hardware-accelerated chaining for efficient end-to-end long-read sequence mapping

Kisaru Liyanage, Hiruna Samarakoon, Sri Parameswaran, Hasindu Gamaarachchi

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Tags: Bioinformatics, Biology, Cloud, FPGA, OpenCL, Package, Sequence alignment

June 11, 2023 by hgpu

Genomics-GPU: A Benchmark Suite for GPU-accelerated Genome Analysis

Zhuren Liu, Shouzhe Zhang, Justin Garrigus, Hui Zhao

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Tags: Benchmarking, Bioinformatics, Biology, Computer science, CUDA, Genomics, nVidia, nVidia GeForce RTX 3070, Package

May 28, 2023 by hgpu

SeedFold: Scaling Biomolecular Structure Prediction

SeedFold: Scaling Biomolecular Structure Prediction

Tilus: A Tile-Level GPU Kernel Programming Language

Tilus: A Tile-Level GPGPU Programming Language for Low-Precision Computation

Memory-Efficient Acceleration of Block Low-Rank Foundation Models on Resource Constrained GPUs

Memory-Efficient Acceleration of Block Low-Rank Foundation Models on Resource Constrained GPUs

CUDA-L2: Surpassing cuBLAS Performance for Matrix Multiplication through Reinforcement Learning

CUDA-L2: Surpassing cuBLAS Performance for Matrix Multiplication through Reinforcement Learning

BoltzGen:Toward Universal Binder Design

BoltzGen:Toward Universal Binder Design

cuPilot: A Strategy-Coordinated Multi-agent Framework for CUDA Kernel Evolution

cuPilot: A Strategy-Coordinated Multi-agent Framework for CUDA Kernel Evolution

MATLAB Tensor Core models

Accurate Models of NVIDIA Tensor Cores

TritonForge: Transform PyTorch Operations into Optimized GPU Kernels with LLMs

TritonForge: Profiling-Guided Framework for Automated Triton Kernel Optimization

RLTune: Hybrid Learning and Optimization-Based Dynamic Scheduling for DL Workloads on Heterogeneous GPU Clusters

Hybrid Learning and Optimization-Based Dynamic Scheduling for DL Workloads on Heterogeneous GPU Clusters

tritonBLAS: A Lightweight Triton-based General Matrix Multiplication (GEMM) Library

tritonBLAS: Triton-based Analytical Approach for GEMM Kernel Parameter Selection

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