All software
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
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
Radiam
Radiam helps researchers keep track of their data, regardless of where it is stored. There are multiple components working together, and most of them run within Docker containers.
- metadata
- RDM
- CSS
- HTML
- JavaScript
- + 3
RAFCON
RAFCON uses hierarchical state machines, featuring concurrent state execution, to represent robot programs. It ships with a graphical user interface supporting the creation of state machines and contains IDE like debugging mechanisms.
- Aeronautics, Space and Transport
- collaboration
- robotics
- + 2
- Python
- SCSS
- Shell
- + 1
rcoins
Identify continuous lines in a spatial network.
- geospatial
- Networks
- R
- Python
- R
rdfsolve
Extract RDF schemas from SPARQL endpoints and convert to multiple formats (VoID, LinkML, JSON-LD).
- Jupyter Notebook
- Python
- Shell
ReaxPro wrappers
This repository is a collection of wrappers used in the ReaxPro project. It holds wrappers for the Amsterdam Modeling Suite (AMS) and Zacros.
- Chemistry
- Multiscale modeling
- Multi-scale & multi model simulations
- Dockerfile
- Python
- Shell