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evaluating-device-gear-for-optical-chemical-construction-popularity

Evaluating device gear for optical chemical construction popularity

Digital Discovery, 2024, 3,681-693DOI: 10.1039/D3DD00228D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Aleksei Krasnov, Shadrack J. Barnabas, Timo Boehme, Stephen K. Boyer, Lutz WeberThe extraction of chemical information from images, also known as Optical Chemical Structure Recognition

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egraffbench:-analysis-of-equivariant-graph-neural-community-power-fields-for-atomistic-simulations

EGraFFBench: analysis of equivariant graph neural community power fields for atomistic simulations

Digital Discovery, 2024, 3,759-768DOI: 10.1039/D4DD00027G, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Vaibhav Bihani, Sajid Mannan, Utkarsh Pratiush, Tao Du, Zhimin Chen, Santiago Miret, Matthieu Micoulaut, Morten M. Smedskjaer, Sayan Ranu, N. M. Anoop KrishnanEGraFFBench: a framework

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studying-conditional-insurance-policies-for-crystal-design-the-use-of-offline-reinforcement-studying

Studying conditional insurance policies for crystal design the use of offline reinforcement studying

Digital Discovery, 2024, 3,769-785DOI: 10.1039/D4DD00024B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Prashant Govindarajan, Santiago Miret, Jarrid Rector-Brooks, Mariano Phielipp, Janarthanan Rajendran, Sarath ChandarConservative Q-learning for band-gap conditioned crystal design with DFT evaluations – the model is

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fsl-cp:-a-benchmark-for-small-molecule-process-few-shot-prediction-the-usage-of-cellular-microscopy-pictures

FSL-CP: a benchmark for small molecule process few-shot prediction the usage of cellular microscopy pictures

Digital Discovery, 2024, 3,719-727DOI: 10.1039/D3DD00205E, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Son V. Ha, Lucas Leuschner, Paul CzodrowskiA benchmark of different methods for few-shot prediction of small molecule activity using cell painting data.The content of this

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chemgymrl:-a-customizable-interactive-framework-for-reinforcement-finding-out-for-virtual-chemistry

ChemGymRL: A customizable interactive framework for reinforcement finding out for virtual chemistry

Digital Discovery, 2024, 3,742-758DOI: 10.1039/D3DD00183K, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Chris Beeler, Sriram Ganapathi Subramanian, Kyle Sprague, Mark Baula, Nouha Chatti, Amanuel Dawit, Xinkai Li, Nicholas Paquin, Mitchell Shahen, Zihan Yang, Colin Bellinger, Mark Crowley,

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evaluation-of-cheap-self-driving-laboratories-in-chemistry-and-fabrics-science:-the-“frugal-dual”-thought

Evaluation of cheap self-driving laboratories in chemistry and fabrics science: the “frugal dual” thought

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D3DD00223C, Tutorial Review Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Stanley Lo, Sterling G. Baird, Joshua Schrier, Ben Blaiszik, Nessa Carson, Ian Foster, Andrés Aguilar-Granda, Sergei V. Kalinin, Benji Maruyama, Maria Politi, Helen

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Fluid-based triboelectric nanogenerators: unveiling the prolific panorama of renewable power harvesting and past

Energy Environ. Sci., 2024, Advance ArticleDOI: 10.1039/D4EE00482E, Review Article Lihong Jiang, Xinlin Liu, Junling Lv, Gaojie Li, Peiyuan Yang, Yumeng Ma, Haiyang Zou, Zhong Lin WangFluid-based triboelectric nanogenerators (F-TENGs) represent a cutting-edge technology that leverages fluids as a contact medium to harness renewable energy through contact

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