All software
ChemSpaX: A Python tool for local chemical space exploration
ChemSpaX is a Python package that can be used for local chemical space exploration of any structure. This is done by placing substuents on a pre-defined skeleton. A substituent can be chosen from an existing library and can be attached to the skeleton.
- catalysis
- Chemistry
- python
- (Python)
- (Shell)
Global Benchmark Database (GBD)
GBD is a comprehensive suite of tools for provisioning and sustainably maintaining benchmark instances and their metadata for empirical research on hard algorithmic problem classes.
- Data analysis
- FAIR Software
- Information
- + 4
- Python
- JavaScript
- HTML
- + 2
PeCon.py
PeCon.py is a Python-Software, that enables the calculation of the ionic and electronic conductivities of Perovskite-type ceramic materials, i.e. the conductivities within oxygen-transport ceramic membranes.
- Energy
- MTET
- open source
- + 1
Reflectorch
Reflectorch is a Python package for the analysis of X-ray and neutron reflectivity data using Pytorch-based neural networks. It provides fast simulation of reflectometry curves by GPU, parameterization via YAML configuration files, and prior-aware training.
- Machine learning
- neutron
- open source
- + 3
- Python
- TeX
- Dockerfile
HoloWizard
HoloWizard is a software to reconstruct near-field holograms form x-ray microscopy experiments and other sources.
- Near-field holography
- Phase problem
- Phase retrieval
- + 2
WRFpy
WRFpy is a python application that provides an easy way to set up, run, and monitor Weather Research and Forecasting simulations
- Data Simulation
- python
- (Python)
Code supporting the paper: A Bayesian finite-element trained machine learning approach for predicting post-burn contraction
Code supporting the paper: A Bayesian finite-element trained machine learning approach for predicting post-burn contraction
- Feed-forward neural network
- Machine learning
- MATLAB
- + 5
Clustering Geo-data Cubes
Tool to perform cluster analysis of multi-dimensional geospatial data, running on local or distributed systems.
- Big data
- geospatial
- Machine learning
- + 1
- ("Jupyter Notebook")
- (Python)
- (TeX)
FAME
FAME is the open Framework for distributed Agent-based Modelling of Energy systems. Its purpose is supporting the rapid development and fast execution of complex agent-based energy system simulations.
- Agent-based Model
- framework
- Java
- + 2
- Python
- BibTeX
JuPedSim
JuPedSim is a framework designed to support students and researchers in investigating pedestrian dynamics and conducting research related to the development and validation of new models or model features. It enables the analysis of experiments and facilitates the proper visualization of results.
- Information
- Modeling
- open source
- + 3
- Python
- C++
- Jupyter Notebook
- + 3
PtyLab.m/py/jl
A cross-platform, open-source inverse modeling toolbox for conventional and Fourier ptychography
- computational physics
- Data analysis
- Data Visualization
- + 10
- Jupyter Notebook
- Python
Automated xy calibration for 3D printers using a scanner
Automated xy calibration for 3D printers using a scanner
- 3D printer
- calibration
- FDM
- + 11