Netherlands eScience Center
National platform for the development and application of domain overarching software and methods for the scientific community
QMCBlip
QMCBlip allows to couple Quantum Monte Carlo Simulations with Machine Learning Force Fields to accelerate Molecular Dynamics simulations
- Python
QMCTorch
Use and design neural network ansatz wave function for real-space quantum Monte Carlo simulations of molecular systems.
- Computational Chemistry
- GPU
- High performance computing
- + 2
- Python
- TeX
QMflows
Construction and efficient execution of computational chemistry workflows.
- Multi-scale & multi model simulations
- Workflow technologies
- Jupyter Notebook
- Python
- Shell
QTLTableMiner++
Extract gene-trait associations from scientific literature
- Inter-operability & linked data
- Text analysis & natural language processing
- Java
- Shell
quafing
Questionnaire analysis using Fisher Information Non-Parametric Embedding. Explore high-dimensional continuous and discrete questionnaire data sets.
- Data Analysis
- python
- Statistics
- Jupyter Notebook
- Python
- Shell
Quantum Newton Raphson
The Quantum Newton Raphson package allows to leverage quantum computing routines to accelerate the Newton-Raphson algorithm.
- Numerical analysis
- Quantum Computing
- Python
- Shell
qubols
qubols allows to solve linear system using a QUBO approach that can be deployed on quantum annealers
- Numerical analysis
- Quantum Computing
- Jupyter Notebook
- Python
- Shell
qubops
qubops allows to solve polynomial system of equations using a QUBO approach that can be deployed on quantum annealers
- Numerical analysis
- Quantum Computing
- Jupyter Notebook
- Python
- Shell
QUICKLB
QUICKLB is a very efficient library that sacrifices optimality for speed. It shines in distributed applications that have unpredictable unbalanced computational peaks in their domains.
- Computational Fluid Dynamics (CFD)
- Fortran
- High performance computing
- + 2
- CMake
- Fortran
- Python
rcoins
Identify continuous lines in a spatial network.
- geospatial
- Networks
- R
- Python
- R
rcrisp Shiny app
Shiny web app for the rcrisp software package.
- geospatial
- R
- shiny
- + 1
- R
ReaxPro framework ontology
This application ontology is dedicated to the ReaxPro framework for the multi-scale modeling of catalytic materials.
- Multi-scale & multi model simulations
- ontology
- Workflow technologies