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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
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
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
Name: Narupa 2 Protocol Date: 2022-04-25 00:00:00 UTC Description: The programs necessary for running a standalone simulation of trypsin and benzamidine in Narupa ... DOI: Location: https://gitlab.com/intangiblerealities/narupa-protocol Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
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
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