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‎assets.json‎

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{
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"containers": {
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"jupyterhub-base": {
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"latest": "2026-03-02",
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"name": "CCPBioSim Base Image",
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"category": "infrastructure",
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"shortdesc": "CCPBioSim JupyterHub base container for use in other training workshops.",
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"longdesc": ""
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},
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"structure-validation-uglymol": {
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"latest": "2026-03-02",
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"name": "Uglymol Image",
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"category": "infrastructure",
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"shortdesc": "Uglymol container for hosted deployment as part of the structure validation workshop.",
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"longdesc": ""
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},
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"structure-validation-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to Structure Validation",
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"category": "setup",
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"shortdesc": "This course will introduce methods to deduce that starting structures for preparing simulations represent high quality starting points.",
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"longdesc": ""
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},
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"basic-statistics-workshop": {
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"latest": "2026-03-02",
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"name": "Introducing Basic Statistics",
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"category": "analysis",
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"shortdesc": "This course illustrates how basic statistical concepts can be applied to the analysis of biomolecular simlation data",
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"longdesc": ""
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},
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"aiida-lysozyme-workshop": {
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"latest": "2026-03-02",
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"name": "aiida-gromacs - Lysozyme MD simulation tutorial",
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"category": "setup",
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"shortdesc": "Data provenance tools demonstrated with Justin Lemkul's lysozyme in water simulation tutorial.",
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"longdesc": ""
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},
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"basic-analysis-workshop": {
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"latest": "2026-03-02",
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"name": "Introducing Basic Analysis",
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"category": "analysis",
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"shortdesc": "In this course we will explore some of the issues in simulation preparation and analysis that can trip up the unwary, and how to avoid them.",
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"longdesc": ""
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},
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"equilibration-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to Equilibration",
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"category": "setup",
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"shortdesc": "This course looks at one of the most common methods for assessing equilibration: the calculation of RMSDs. It may be a common approach, but is it a good one? Maybe not.",
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"longdesc": ""
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},
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"ubiquitin-analysis-workshop": {
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"latest": "2026-03-02",
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"name": "Introduction to Analysis of Ubiquitin",
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"category": "analysis",
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"shortdesc": "This course illustrates the application of a number of Python-based tools to the analysis of the results from a short (1 nanosecond) simulation of ubiquitin, investigating the question, how similar is the MD trajectory to the crystal and NMR structures?",
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"longdesc": ""
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},
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"clustering-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to Clustering",
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"category": "analysis",
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"shortdesc": "This course illustrates the application of a variety of clustering methods to an MD trajectory, comparing their performance.",
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"longdesc": ""
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},
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"aiida-gpcr-workshop": {
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"latest": "2026-03-02",
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"name": "aiida-gromacs - GPCR MD simulation tutorial",
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"category": "advanced",
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"shortdesc": "An advanced demonstration showing advanced GPCR workflow with full data provenance collection.",
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"longdesc": ""
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},
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"pca-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to Principle Component Analysis",
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"category": "analysis",
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"shortdesc": "The aim of this course is to illustrate methods we can use to assess convergence and sampling in MD trajectories.",
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"longdesc": ""
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},
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"python-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to Python Programming",
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"category": "coding",
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"shortdesc": "This course will introduce more intermediate features of Python that are useful for biomolecular modellers.",
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"longdesc": ""
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},
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"pdb2pqr-workshop": {
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"latest": "2026-03-02",
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"name": "An Introduction to PDB2PQR",
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"category": "setup",
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"shortdesc": "This short course illustrates the application of pdb2pqr to the analysis of the tautomeric and ionization states of residues in the structure of the cysteine protease cruzein (PDB code 2oz2) - the results may not be what you would have expected!",
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"longdesc": ""
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},
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"docking-workflow": {
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"latest": "2026-03-02",
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"name": "Introducing Docking Workflows",
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"category": "advanced",
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"shortdesc": "This course introduces docking tools and workflows.",
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"longdesc": ""
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},
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"qmmm-workshop": {
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"latest": "2026-03-02",
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"name": "Introducing QM/MM",
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"category": "advanced",
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"shortdesc": "The course will introduce non-specialists to the use of combined quantum mechanics/molecular mechanics (QM/MM) methods for modelling enzyme-catalysed reaction mechanisms.",
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"longdesc": ""
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},
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"mm-gbsa-workshop": {
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"latest": "2026-03-02",
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"name": "Analysing with MM-GBSA",
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"category": "analysis",
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"shortdesc": "This course walks through the process of perfprming a basic MM-GBSA analysis of a molecular dynamics simulation of a protein-ligand complex to estimate the ligand binding free energy.",
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"longdesc": ""
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},
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"protein-ml-workshop": {
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"latest": "2026-03-02",
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"name": "Protein Analysis with Machine Learning",
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"category": "analysis",
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"shortdesc": "This course introduces the application of Machine Learning methods (specifically, PCA and clustering) to the analysis of protein simulation data.",
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"longdesc": ""
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},
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"protein-analysis-workshop": {
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"latest": "2026-03-02",
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"name": "Introduction to the Analysis of Proteins",
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"category": "analysis",
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"shortdesc": "This course introduces the application of MDTraj to the analysis of protein simulation data.",
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"longdesc": ""
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},
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"protein-preparation-workshop": {
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"latest": "2026-03-02",
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"name": "Preparing Proteins for Simulation",
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"category": "setup",
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"shortdesc": "This course walks through the process of preparing a simple protein system for molecular dynamics simulation using Ambertools.",
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"longdesc": ""
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},
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"dna-workshop": {
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"latest": "2026-03-02",
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"name": "Running DNA Simulations",
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"category": "simulation",
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"shortdesc": "This course introduces tools for running simulations on DNA systems.",
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"longdesc": ""
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},
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"protein-simulation-workshop": {
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"latest": "2026-03-02",
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"name": "Running MD Simulations",
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"category": "simulation",
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"shortdesc": "This workshop demonstrates two approaches to running MD simulations on a simple protein system.",
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"longdesc": ""
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},
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"coarse-graining-workshop": {
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"latest": "2026-03-02",
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"name": "Introducing Coarse-Graining",
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"category": "advanced",
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"shortdesc": "This workshop introduces tools for setup and running coarse-grain simulations.",
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"longdesc": ""
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},
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"openff-workshop": {
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"latest": "2026-03-02",
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"name": "Introducing OpenForceField Tools",
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"category": "advanced",
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"shortdesc": "This workshop introduces the openforcefield tooling.",
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"longdesc": ""
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}
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}
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}

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