Name: supporting-info Date: 2020-10-14 00:00:00 UTC
Description: supporting-info
DOI:
Location: https://github.com/AlexanderHoffman/supporting-info
Article: Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts
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Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI:
Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI:
Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
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Name: Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries: Datasets Date: 2021-09-16 00:00:00 UTC
Description: Sinogram XRD-CT data used in the manuscript entitled "Cycling Rate-Induced Spatially-Resolved He...
DOI: 10.5281/zenodo.5172980
Location: https://zenodo.org/record/5172980
Article: Cycling Rate‐Induced Spatially‐Resolved Heterogeneities in Commercial Cylindrical Li‐Ion Batteries
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Name: DLSR datasets Date: 2020-11-20 00:00:00 UTC
Description: Simulated and experimental xrd-ct datasets used for the Topas implementation of the DLSR algorithm
DOI: 10.5281/zenodo.4059828
Location: https://zenodo.org/record/4059828
Article: DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data
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Name: THE SYNTHESIS OF GLYCEROL CARBONATE FROM GLYCEROL AND CARBON DIOXIDE OVER HETEROGENEOUS CATALYSTS Date: 2018-03-13 00:00:00 UTC
Description: Informed Consent Statement: Not applicable.Data Availability Statement: The data presented in th...
DOI:
Location: http://etheses.whiterose.ac.uk/19350/
Article: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents
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Name: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC
Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles
DOI:
Location: https://github.com/UK-Catalysis-Hub/ukcathubapp
Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
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Name: XAS Workflow Demo: Source Code Date: 2022-02-02 00:00:00 UTC
Description: Source Code for A Workflow Demonstrator for Processing Catalysis Research Data
DOI:
Location: https://github.com/UK-Catalysis-Hub/XAS-Workflow-Demo
Article: A Workflow Demonstrator for Processing Catalysis Research Data
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Name: SD2I Date: 2023-05-15 00:00:00 UTC
Description: The Single Digit to Image (SD2I) tensorflow-based image reconstruction tool.
DOI:
Location: https://github.com/robindong3/SD2I
Article: A scalable neural network architecture for self-supervised tomographic image reconstruction
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Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg
Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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