Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores
Fuente:
arXiv
Saved in:
| Main Authors: | Schieffer, Gabin, Peng, Ivy |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
A GPU-accelerated Molecular Docking Workflow with Kubernetes and Apache Airflow
by: Medeiros, Daniel, et al.
Published: (2024)
by: Medeiros, Daniel, et al.
Published: (2024)
Taming GPU Underutilization via Static Partitioning and Fine-grained CPU Offloading
by: Schieffer, Gabin, et al.
Published: (2026)
by: Schieffer, Gabin, et al.
Published: (2026)
Harnessing CUDA-Q's MPS for Tensor Network Simulations of Large-Scale Quantum Circuits
by: Schieffer, Gabin, et al.
Published: (2025)
by: Schieffer, Gabin, et al.
Published: (2025)
Harnessing Integrated CPU-GPU System Memory for HPC: a first look into Grace Hopper
by: Schieffer, Gabin, et al.
Published: (2024)
by: Schieffer, Gabin, et al.
Published: (2024)
Understanding Data Movement in AMD Multi-GPU Systems with Infinity Fabric
by: Schieffer, Gabin, et al.
Published: (2024)
by: Schieffer, Gabin, et al.
Published: (2024)
Understanding Layered Portability from HPC to Cloud in Containerized Environments
by: Medeiros, Daniel, et al.
Published: (2024)
by: Medeiros, Daniel, et al.
Published: (2024)
Kub: Enabling Elastic HPC Workloads on Containerized Environments
by: Medeiros, Daniel, et al.
Published: (2024)
by: Medeiros, Daniel, et al.
Published: (2024)
Disaggregated Memory with SmartNIC Offloading: a Case Study on Graph Processing
by: Wahlgren, Jacob, et al.
Published: (2024)
by: Wahlgren, Jacob, et al.
Published: (2024)
Dissecting CPU-GPU Unified Physical Memory on AMD MI300A APUs
by: Wahlgren, Jacob, et al.
Published: (2025)
by: Wahlgren, Jacob, et al.
Published: (2025)
Multi-level Memory-Centric Profiling on ARM Processors with ARM SPE
by: Miksits, Samuel, et al.
Published: (2024)
by: Miksits, Samuel, et al.
Published: (2024)
ARM SVE Unleashed: Performance and Insights Across HPC Applications on Nvidia Grace
by: Shi, Ruimin, et al.
Published: (2025)
by: Shi, Ruimin, et al.
Published: (2025)
High-performance Vector-length Agnostic Quantum Circuit Simulations on ARM Processors
by: Shi, Ruimin, et al.
Published: (2026)
by: Shi, Ruimin, et al.
Published: (2026)
Inter-APU Communication on AMD MI300A Systems via Infinity Fabric: a Deep Dive
by: Schieffer, Gabin, et al.
Published: (2025)
by: Schieffer, Gabin, et al.
Published: (2025)
OpenCUBE: Building an Open Source Cloud Blueprint with EPI Systems
by: Peng, Ivy, et al.
Published: (2024)
by: Peng, Ivy, et al.
Published: (2024)
Accelerating Sparse MTTKRP for Small Tensor Decomposition on GPU
by: Wijeratne, Sasindu, et al.
Published: (2025)
by: Wijeratne, Sasindu, et al.
Published: (2025)
Parallelizing Drug Discovery: HPC Pipelines for Alzheimer's Molecular Docking and Simulation
by: Alliata, Paul Ruiz, et al.
Published: (2025)
by: Alliata, Paul Ruiz, et al.
Published: (2025)
PICO: Accelerating All k-Core Paradigms on GPU
by: Zhao, Chen, et al.
Published: (2024)
by: Zhao, Chen, et al.
Published: (2024)
MT4G: A Tool for Reliable Auto-Discovery of NVIDIA and AMD GPU Compute and Memory Topologies
by: Vanecek, Stepan, et al.
Published: (2025)
by: Vanecek, Stepan, et al.
Published: (2025)
Sparse MTTKRP Acceleration for Tensor Decomposition on GPU
by: Wijeratne, Sasindu, et al.
Published: (2024)
by: Wijeratne, Sasindu, et al.
Published: (2024)
Accelerating Biclique Counting on GPU
by: Qiu, Linshan, et al.
Published: (2024)
by: Qiu, Linshan, et al.
Published: (2024)
HC-SpMM: Accelerating Sparse Matrix-Matrix Multiplication for Graphs with Hybrid GPU Cores
by: Li, Zhonggen, et al.
Published: (2024)
by: Li, Zhonggen, et al.
Published: (2024)
cuFastTuckerPlus: A Stochastic Parallel Sparse FastTucker Decomposition Using GPU Tensor Cores
by: Li, Zixuan, et al.
Published: (2024)
by: Li, Zixuan, et al.
Published: (2024)
Fast and Scalable Mixed Precision Euclidean Distance Calculations Using GPU Tensor Cores
by: Curless, Brian, et al.
Published: (2025)
by: Curless, Brian, et al.
Published: (2025)
GPU Accelerated Sparse Cholesky Factorization
by: Karsavuran, M. Ozan, et al.
Published: (2024)
by: Karsavuran, M. Ozan, et al.
Published: (2024)
HAS-GPU: Efficient Hybrid Auto-scaling with Fine-grained GPU Allocation for SLO-aware Serverless Inferences
by: Gu, Jianfeng, et al.
Published: (2025)
by: Gu, Jianfeng, et al.
Published: (2025)
Convex Hull 3D Filtering with GPU Ray Tracing and Tensor Cores
by: Carrasco, Roberto, et al.
Published: (2026)
by: Carrasco, Roberto, et al.
Published: (2026)
Low-ordered Orthogonal Voxel Finite Element with INT8 Tensor Cores for GPU-based Explicit Elastic Wave Propagation Analysis
by: Ichimura, Tsuyoshi, et al.
Published: (2024)
by: Ichimura, Tsuyoshi, et al.
Published: (2024)
GPU-Accelerated Batch-Dynamic Subgraph Matching
by: Qiu, Linshan, et al.
Published: (2024)
by: Qiu, Linshan, et al.
Published: (2024)
CRIUgpu: Transparent Checkpointing of GPU-Accelerated Workloads
by: Stoyanov, Radostin, et al.
Published: (2025)
by: Stoyanov, Radostin, et al.
Published: (2025)
HadaCore: Tensor Core Accelerated Hadamard Transform Kernel
by: Agarwal, Krish, et al.
Published: (2024)
by: Agarwal, Krish, et al.
Published: (2024)
Accelerating Intra-Node GPU-to-GPU Communication Through Multi-Path Transfers with CUDA Graphs
by: Sojoodi, Amirhossein, et al.
Published: (2026)
by: Sojoodi, Amirhossein, et al.
Published: (2026)
GPZ: GPU-Accelerated Lossy Compressor for Particle Data
by: Li, Ruoyu, et al.
Published: (2025)
by: Li, Ruoyu, et al.
Published: (2025)
Efficient Accelerated Graph Edit Distance Computation on GPU
by: Dabah, Adel, et al.
Published: (2026)
by: Dabah, Adel, et al.
Published: (2026)
Acc-SpMM: Accelerating General-purpose Sparse Matrix-Matrix Multiplication with GPU Tensor Cores
by: Zhao, Haisha, et al.
Published: (2025)
by: Zhao, Haisha, et al.
Published: (2025)
Speeding up Local Optimization in Vehicle Routing with Tensor-based GPU Acceleration
by: Lei, Zhenyu, et al.
Published: (2025)
by: Lei, Zhenyu, et al.
Published: (2025)
Boosting Performance of Iterative Applications on GPUs: Kernel Batching with CUDA Graphs
by: Ekelund, Jonah, et al.
Published: (2025)
by: Ekelund, Jonah, et al.
Published: (2025)
KIS-S: A GPU-Aware Kubernetes Inference Simulator with RL-Based Auto-Scaling
by: Zhang, Guilin, et al.
Published: (2025)
by: Zhang, Guilin, et al.
Published: (2025)
A Preliminary Study on Accelerating Simulation Optimization with GPU Implementation
by: He, Jinghai, et al.
Published: (2024)
by: He, Jinghai, et al.
Published: (2024)
A Practical GPU-Accelerated Implementation of Orthogonal Matching Pursuit
by: Lubonja, Ariel, et al.
Published: (2024)
by: Lubonja, Ariel, et al.
Published: (2024)
GPU-Accelerated Distributed QAOA on Large-scale HPC Ecosystems
by: Xu, Zhihao, et al.
Published: (2025)
by: Xu, Zhihao, et al.
Published: (2025)
Similar Items
-
A GPU-accelerated Molecular Docking Workflow with Kubernetes and Apache Airflow
by: Medeiros, Daniel, et al.
Published: (2024) -
Taming GPU Underutilization via Static Partitioning and Fine-grained CPU Offloading
by: Schieffer, Gabin, et al.
Published: (2026) -
Harnessing CUDA-Q's MPS for Tensor Network Simulations of Large-Scale Quantum Circuits
by: Schieffer, Gabin, et al.
Published: (2025) -
Harnessing Integrated CPU-GPU System Memory for HPC: a first look into Grace Hopper
by: Schieffer, Gabin, et al.
Published: (2024) -
Understanding Data Movement in AMD Multi-GPU Systems with Infinity Fabric
by: Schieffer, Gabin, et al.
Published: (2024)