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Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

Publications associées (28)

Extensions of Peer Prediction Incentive Mechanisms

As large, data-driven artificial intelligence models become ubiquitous, guaranteeing high data quality is imperative for constructing models. Crowdsourcing, community sensing, and data filtering have long been the standard approaches to guaranteeing or imp ...

EPFL2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Modular segmentation, spatial analysis and visualization of volume electron microscopy datasets

Martin Weigert

Volume electron microscopy is the method of choice for the in situ interrogation of cellular ultrastructure at the nanometer scale, and with the increase in large raw image datasets generated, improving computational strategies for image segmentation and s ...

Nature Portfolio2024

Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

Data-driven statistical optimization of a groundwater monitoring network

Andrea Rinaldo, Gianluca Botter

We propose a comparative study of three different methods aimed at optimizing existing groundwater monitoring networks. Monitoring piezometric heads in subsurface porous formations is crucial at regional scales to properly characterize the relevant subsurf ...

Elsevier2024

Technology-Aware Logic Synthesis for Superconducting Electronics

Giovanni De Micheli, Dewmini Sudara Marakkalage, Mingfei Yu, Siang-Yun Lee, Alessandro Tempia Calvino, Rassul Bairamkulov

Superconducting electronics provide us with cryogenic digital circuits that can rival established technologies in performance and energy consumption. Today, the lack of tools for the design of large-scale integrated superconducting circuits is a major obst ...

2024

Stability: a search for structure

Wouter Jongeneel

In this thesis we study stability from several viewpoints. After covering the practical importance, the rich history and the ever-growing list of manifestations of stability, we study the following. (i) (Statistical identification of stable dynamical syste ...

EPFL2024

Ultrahigh-quality-factor micro- and nanomechanical resonators using dissipation dilution

Tobias Kippenberg, Alberto Beccari, Nils Johan Engelsen

Mechanical resonators are widely used in sensors, transducers and optomechanical systems, where mechanical dissipation sets the ultimate limit to performance. Over the past 15 years, the quality factors in strained mechanical resonators have increased by f ...

Nature Portfolio2024

A state-of-the-art, systematic review of indoor environmental quality studies in work-from-home settings

Giorgia Chinazzo

The COVID-19 pandemic has led to a significant increase in working from home worldwide, making the workfrom-home (WFH) setting a crucial context for studying the influence of indoor environmental quality (IEQ) on workers' well-being and productivity. A nar ...

Pergamon-Elsevier Science Ltd2024

Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

Extensions of Peer Prediction Incentive Mechanisms

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Modular segmentation, spatial analysis and visualization of volume electron microscopy datasets

Augmenting large language models with chemistry tools

Data-driven statistical optimization of a groundwater monitoring network

Technology-Aware Logic Synthesis for Superconducting Electronics

Stability: a search for structure

Ultrahigh-quality-factor micro- and nanomechanical resonators using dissipation dilution

A state-of-the-art, systematic review of indoor environmental quality studies in work-from-home settings

Graph Chatbot

Extensions of Peer Prediction Incentive Mechanisms

Estrogenic, Genotoxic, and Antibacterial Effects of Chemicals from Cryogenically Milled Tire Tread

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Modular segmentation, spatial analysis and visualization of volume electron microscopy datasets

Augmenting large language models with chemistry tools

Data-driven statistical optimization of a groundwater monitoring network

Technology-Aware Logic Synthesis for Superconducting Electronics

Stability: a search for structure

Ultrahigh-quality-factor micro- and nanomechanical resonators using dissipation dilution

A state-of-the-art, systematic review of indoor environmental quality studies in work-from-home settings

Estrogenic, Genotoxic, and Antibacterial Effects of Chemicals from Cryogenically Milled Tire Tread