PySAGES: flexible, advanced sampling methods accelerated with GPUs
Fuente:
arXiv
Saved in:
| Main Authors: | Rico, Pablo F. Zubieta, Schneider, Ludwig, Pérez-Lemus, Gustavo R., Alessandri, Riccardo, Dasetty, Siva, Menéndez, Cintia A., Wu, Yiheng, Jin, Yezhi, Xu, Yinan, Nguyen, Trung D., Parker, John A., Ferguson, Andrew L., Whitmer, Jonathan K., de Pablo, Juan J. |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Autodifferentiable Geometric Restraints for Enhanced Sampling Simulations with Classical and Machine Learned Force Fields
by: Pérez-Lemus, Gustavo R., et al.
Published: (2025)
by: Pérez-Lemus, Gustavo R., et al.
Published: (2025)
The Importance of Learning without Constraints: Reevaluating Benchmarks for Invariant and Equivariant Features of Machine Learning Potentials in Generating Free Energy Landscapes
by: Pérez-Lemus, Gustavo R., et al.
Published: (2024)
by: Pérez-Lemus, Gustavo R., et al.
Published: (2024)
Out-of-equilibrium modeling of lyotropic liquid crystals: from binary simulations to multi-component theory
by: Salmerón-Hernández, Jonathan, et al.
Published: (2025)
by: Salmerón-Hernández, Jonathan, et al.
Published: (2025)
Lipid droplets provide metabolic flexibility for cancer progression
by: Rémi Safi, et al.
Published: (2024)
by: Rémi Safi, et al.
Published: (2024)
A Benchmark Suite for Multi-Objective Optimization in Battery Thermal Management System Design
by: Ouyang, Kaichen, et al.
Published: (2025)
by: Ouyang, Kaichen, et al.
Published: (2025)
Contracción y desintegración de la comunidad lingüística p’urhépecha en el siglo XXI: el caso de la región lacustre de Pátzcuaro
by: Gabriel Rico Lemus
Published: (2015)
by: Gabriel Rico Lemus
Published: (2015)
Direct and indirect longitudinal relationships among self‐efficacy, job performance and career advancements
by: Guido Alessandri, et al.
Published: (2024)
by: Guido Alessandri, et al.
Published: (2024)
Robust Moving-horizon Estimation for Nonlinear Systems: From Perfect to Imperfect Optimization
by: Alessandri, Angelo
Published: (2025)
by: Alessandri, Angelo
Published: (2025)
I FRANCESCANI E LA MEDITAZIONE DEL TEMA DELLA PASSIONE: IL CASO DELLA VITIS MYSTICA DI BONAVENTURA DI BAGNOREGIO
by: Andrea Alessandri
Published: (2022)
by: Andrea Alessandri
Published: (2022)
Cambios en los índices de desarrollo del aprendizaje en niños pequeños con desórdenes del espectro autista
by: Michael Alessandri
Published: (2002)
by: Michael Alessandri
Published: (2002)
CHIC: Caley-Hamilton, Invariants and Constants for Neutrino Oscillation Probabilities and Gradients
by: Fernández-Menéndez, Pablo
Published: (2025)
by: Fernández-Menéndez, Pablo
Published: (2025)
Hemorragia digestiva baja e intususcepción subsecuente a tumor del estroma gastrointestinal
by: Pablo Menéndez Sánchez
Published: (2009)
by: Pablo Menéndez Sánchez
Published: (2009)
Tromboflebitis séptica de la vena porta secundaria a colecistitis aguda
by: Pablo Menéndez-Sánchez
Published: (2010)
by: Pablo Menéndez-Sánchez
Published: (2010)
Gliomatosis peritoneal, recidiva, tratamiento y seguimiento
by: Pablo Menéndez-Sánchez
Published: (2011)
by: Pablo Menéndez-Sánchez
Published: (2011)
Marcadores tumorales en el cáncer colorrectal
by: Pablo Menéndez-Sánchez
Published: (2013)
by: Pablo Menéndez-Sánchez
Published: (2013)
Angiomiofibroblastoma de fosa isquiorrectal derecha
by: Pablo Menéndez-Sánchez
Published: (2010)
by: Pablo Menéndez-Sánchez
Published: (2010)
Obstrucción intestinal tardía como consecuencia de una hernia diafragmática postraumatismo
by: Pablo Menéndez-Sánchez
Published: (2012)
by: Pablo Menéndez-Sánchez
Published: (2012)
PS4PRO: Pixel-to-pixel Supervision for Photorealistic Rendering and Optimization
by: Shen, Yezhi, et al.
Published: (2025)
by: Shen, Yezhi, et al.
Published: (2025)
Modeling Dependence in Omics Association Analysis via Structured Co-Expression Networks to Improve Power and Replicability
by: Lee, Hwiyoung, et al.
Published: (2025)
by: Lee, Hwiyoung, et al.
Published: (2025)
ICP-3DGS: SfM-free 3D Gaussian Splatting for Large-scale Unbounded Scenes
by: Zhang, Chenhao, et al.
Published: (2025)
by: Zhang, Chenhao, et al.
Published: (2025)
Monthly mean precipitation at meteorological station Py, Têt basin
by: Ludwig, Wolfgang
Published: (2004)
by: Ludwig, Wolfgang
Published: (2004)
CudaMon: An R Package to Monitor NVIDIA GPUs, Showcased by Monitoring a GPU-accelerated Single-cell Analysis Workflow in R
by: Zadenoori, Mohammad Amin, et al.
Published: (2026)
by: Zadenoori, Mohammad Amin, et al.
Published: (2026)
The Architects of Narrative Evolution: Actor Interventions Across the SAGES Framework in Information Campaigns
by: Ng, Lynnette Hui Xian, et al.
Published: (2026)
by: Ng, Lynnette Hui Xian, et al.
Published: (2026)
The SAGES Critical View of Safety Challenge: A Global Benchmark for AI-Assisted Surgical Quality Assessment
by: Alapatt, Deepak, et al.
Published: (2025)
by: Alapatt, Deepak, et al.
Published: (2025)
New Partial Trace Inequalities and Distillability of Werner States
by: Rico, Pablo Costa
Published: (2023)
by: Rico, Pablo Costa
Published: (2023)
Hiponatremia recurrente secundaria a ISRS.
by: Pablo Puras Rico
Published: (2011)
by: Pablo Puras Rico
Published: (2011)
“Para que non finque de cosa d’ellos memoria alguna”: información, práctica administrativa y contractualismo en el cobro de albaquías durante el reinado de Enrique III de Castilla (1398-1404)
by: Pablo Ortego Rico
Published: (2021)
by: Pablo Ortego Rico
Published: (2021)
PyCFTBoot: A flexible interface for the conformal bootstrap
by: Behan, Connor
Published: (2016)
by: Behan, Connor
Published: (2016)
WgPy: GPU-accelerated NumPy-like array library for web browsers
by: Hidaka, Masatoshi, et al.
Published: (2025)
by: Hidaka, Masatoshi, et al.
Published: (2025)
Accelerating a Linear Programming Algorithm on AMD GPUs
by: Hu, Xiyan, et al.
Published: (2025)
by: Hu, Xiyan, et al.
Published: (2025)
Evolución del concepto de número / Francisco Zubieta
by: Zubieta, Francisco
by: Zubieta, Francisco
La medicina tradicional china y su sustentación científica
by: Zulma Zubieta
Published: (2003)
by: Zulma Zubieta
Published: (2003)
Hacia la implementación de un modelo de trabajo colaborativo en cuidados paliativos pediátricos para países vecinos
by: Marcela Zubieta
Published: (2016)
by: Marcela Zubieta
Published: (2016)
Sexismo ambivalente, estereotipos y valores en el ámbito militar
by: Elena Zubieta
Published: (2011)
by: Elena Zubieta
Published: (2011)
Percepción social y creencia en el mundo justo. Un estudio con estudiantes argentinos
by: Elena Zubieta
Published: (2006)
by: Elena Zubieta
Published: (2006)
CONCEPCIONES Y CREENCIAS SOBRE EL TRABAJO. ESTUDIO DESCRIPTIVO DE ALGUNAS FUENTES DE VARIACIÓN EN UNA MUESTRA LABORALMENTE ACTIVA
by: Elena Zubieta
Published: (2008)
by: Elena Zubieta
Published: (2008)
Estudio del desempeño de dos métodos de detección de antígenos rápidos en hisopados combinados y en hisopados nasofaríngeos para la detección de SARS-CoV-2
by: Martín Zubieta
Published: (2021)
by: Martín Zubieta
Published: (2021)
Un modelo flexible para la simulación de distribución de ciudades
by: Pablo Ramírez
Published: (2014)
by: Pablo Ramírez
Published: (2014)
Candidate Members of the VMP/EMP Disk System of the Galaxy from the SkyMapper and SAGES Surveys
by: Hong, Jihye, et al.
Published: (2023)
by: Hong, Jihye, et al.
Published: (2023)
Denoising of Two-Phase Optically Sectioned Structured Illumination Reconstructions Using Encoder-Decoder Networks
by: Davis, Allison, et al.
Published: (2025)
by: Davis, Allison, et al.
Published: (2025)
Similar Items
-
Autodifferentiable Geometric Restraints for Enhanced Sampling Simulations with Classical and Machine Learned Force Fields
by: Pérez-Lemus, Gustavo R., et al.
Published: (2025) -
The Importance of Learning without Constraints: Reevaluating Benchmarks for Invariant and Equivariant Features of Machine Learning Potentials in Generating Free Energy Landscapes
by: Pérez-Lemus, Gustavo R., et al.
Published: (2024) -
Out-of-equilibrium modeling of lyotropic liquid crystals: from binary simulations to multi-component theory
by: Salmerón-Hernández, Jonathan, et al.
Published: (2025) -
Lipid droplets provide metabolic flexibility for cancer progression
by: Rémi Safi, et al.
Published: (2024) -
A Benchmark Suite for Multi-Objective Optimization in Battery Thermal Management System Design
by: Ouyang, Kaichen, et al.
Published: (2025)