BAMresearch/NFDI4IngHPCWorkflows

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MIT License
Created about 2 years ago
Updated almost 2 years ago

BAMresearch/NFDI4IngHPCWorkflows

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Within the NFDI4Ing project strategies to publish research data (which includes software and workflows) in a Findable, Accessible, Interoperable and Reusable (FAIR) manner are being developed. For HPC simulations one challenge is the often unique software stack. In this repository, we would like to investigate how (docker, apptainer) containers can be build in order to improve the FAIRness of workflows in the HPC context.

automatic-sem-image-segmentation

Workflow for Simulation and Automatic Semantic Segmentation of Electron Microscopy Images

Jupyter Notebook

WEBSLAMD

Sequential Learning App for Materials Discovery ("SLAMD") - Web Version

ScaffoldStructures

Create different scaffolds based on triply periodic minimal structures like Gyroids or SchwarzP cells

fenics-constitutive

Complex constitutive models beyond the FEniCS UFL.

NFDI4IngScientificWorkflowRequirements

This is a repository to discuss, collect and store the requirements for scientific workflow systems

SequentialLearningApp

Sequential Learning App for Materials Discovery (SLAMD)

Jupyter Notebook

LebeDigital

The LeBeDigital Concrete Production and Testing Ontology - CPTO Repository

WavenumberAnalysis

This project allows to perform wavenumber mapping using Matlab.

PGDrome

A FEniCS based python module of the Proper Generalized Decomposition (PGD) method.

.oss-strategy

Infomaterialien zur Open-Source-Strategie der BAM

probeye

A general framework for setting up parameter estimation problems.

ctsimu-toolbox

CTSimU Software Toolbox

Photothermal_SR_Net

McSAS3

Refactored McSAS for analysis of X-ray and neutron scattering data

Jupyter Notebook

SLAMD_Doku

EU-energy-label-app

McDLS

Employs a Monte Carlo method to derive size distributions from dynamic light scattering (DLS) data. Based on https://github.com/BAMresearch/McSAS

aRTist-handbook

User guide for the radiographic simulator aRTist.

ctsimu-scenarios

A file format to describe CT scans.

bayem

Implementation and derivation of "Variational Bayesian inference for a nonlinear forward model." [Chappell et al. 2008] for arbitrary, user-defined model errors.

McSAS

A tool for extracting form-free size distributions of small-angle scattering (SAS) patterns using a Monte-Carlo method.

ctsimu-artist-module

CTSimU Module for aRTist

HDF5Translator

A flexible command-line tool for translating HDF5 files with one structure into HDF5 files with another structure using editable configuration dictionaries

SRGDM

Super-Resolution for Gas Distribution Mapping

Jupyter Notebook

jupyter_tutorial_sas

A programming tutorial for looking at SAS Data with Python. Part of the 'Better with Scattering' Workshop.

Jupyter Notebook

jupyter-integration

Configures Anaconda on Windows and associates double-click on .ipynb files with JupyterLab. To get version controlled Jupyter notebooks, it installs an extension to commit changes directly from JupyterLab, no command-line interaction necessary. |> https://bamresearch.github.io/jupyter-integration |> https://www.youtube.com/channel/UC0Jlyc60Nxc7FF_3Sjq8f6g

ANNforPAT

Artificial Neural Networks for Process Analytical Technology

virtual-gas-camera

Software repository for the so-called 'virtual gas camera' associated with the paper 'Robotic Scanning Absorption Spectroscopy for Methane Leak Detection: the Virtual Gas Camera'.

bam-load-based-testing

amworkflow

SyFoS

Synthetic Force Spectroscopy data - A graphical user interface.

Ontopanel-BrinellHardnessData

File archive of Brinell hardness testing

epics_dashboard

Streamlit based dashboard to display EPICS process variables in real time

GaussianBeamProfile

Gaussian Beam Profile calculator for 2PP

Jupyter Notebook

DF-TEM-PAW

Jupyter Notebook

PluripotentTemperatureController

Electrical diagram, parts list and photos for building a triple PID controller with AC and DC solid-state relays

DIRECTT

A graphical user interface, based on the ASTRA toolbox, for the reconstruction from X-ray Computed Tomography data. It includes the option of the DIRECTT algorithm.

aRTist-PythonLib

Python library to control aRTist remotely and automatically

SPONGE

Simulates X-ray and Neutron scattering patterns from arbitrary shapes defined by STL files

Jupyter Notebook

Trinamic_TMCL_IOC

A python and EPICS interface for Trinamic TMCL-speaking motor controller boards, controlled over serial-over-ethernet

particle_concentration_from_dls

A python implementation for determining nanoparticle number concentrations from multi-angle dynamic light scattering (DLS) measurements. Based on "Austin, J., Minelli, C., Hamilton, D. et al. Nanoparticle number concentration measurements by multi-angle dynamic light scattering. J Nanopart Res 22, 108 (2020)." https://doi.org/10.1007/s11051-020-04840-8

Jupyter Notebook

FEniQS

A library for modelling static/quasi-static structural mechanics problems in FEniCS.

dockerbuilder-pmd

Repo for building docker images in github actions

analyse_dls_with_contin

This repository contains Python code and a Jupyter Notebook running the original CONTIN program by S. Provencher on every DLS measurement (dynamic light scattering, aka. photon correlation spectroscopy, PCS) read from *.ASC files.

Jupyter Notebook

VMAP4Fenics

VMAP Wrapper for Fenics FEM Simulations

Roughness-Analysis-by-Electron-Microscopy

Roughness analysis approach by electron microscopy for spherical microparticles

FenicsConcrete

FE model representing the hardening of concrete