Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU
☆32Feb 23, 2017Updated 9 years ago
Alternatives and similar repositories for qe-gpu-plugin
Users that are interested in qe-gpu-plugin are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆67Jan 29, 2020Updated 6 years ago
- Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…☆19Dec 18, 2020Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Official mirror of Quantum ESPRESSO☆48Jan 27, 2018Updated 8 years ago
- [DEPRECATED] Please use https://github.com/QEF/q-e instead☆43Jan 9, 2016Updated 10 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Open source graphical interface to various DFT/Quantum chemistry codes☆18Dec 8, 2022Updated 3 years ago
- Real-time TDDFT for Quantum-Espresso☆26Aug 31, 2026Updated last month
- Python modules for electron–phonon models☆41Sep 16, 2026Updated 3 weeks ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- OpenMP GPU Accelerated Applications☆13Nov 20, 2025Updated 10 months ago
- Simple LBM kernels for benchmarking and performance evaluation☆14Jun 6, 2018Updated 8 years ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 7 years ago
- A Python framework for propagating the time dependent Schrödinger equation☆16Aug 23, 2011Updated 15 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A simple example of how to bind C++ code in Python☆14Nov 13, 2020Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73Sep 12, 2026Updated 3 weeks ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 4 years ago
- Examples of pybind11 based projects (using cmake)☆12Nov 14, 2020Updated 5 years ago
- A library to interface molecules and machine learning.☆62Jul 31, 2019Updated 7 years ago
- ☆11Aug 8, 2021Updated 5 years ago
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- Overview of published generative models that produce molecules☆16Jan 16, 2020Updated 6 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- FFTFPGA is an OpenCL based library for Fast Fourier Transformations for FPGAs. This repository provides OpenCL host code in the form of F…☆17Mar 31, 2022Updated 4 years ago
- python reader for Andor sif file☆13Sep 28, 2020Updated 6 years ago
- Standalone Patatrack pixel tracking☆19Updated this week
- An alternative to Boost.MPI for a user friendly C++ interface for MPI (MPICH).☆19Feb 24, 2018Updated 8 years ago
- Structured PIC proxy app based on Cabana☆15Jun 30, 2025Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆96Jan 21, 2020Updated 6 years ago
- LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.☆15Nov 24, 2015Updated 10 years ago
- A Python package for advanced processing and combinatorial analysis of spectroscopy data.☆18Sep 7, 2024Updated 2 years ago
- ase interface for Quantum Espresso☆70Feb 22, 2020Updated 6 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 9 months ago
- A neutral particle transport mini-app to study performance of sweeps on unstructured, 3D tetrahedral meshes.☆19Sep 20, 2022Updated 4 years ago
- A Virtual Machine for computational materials science☆107Jul 23, 2026Updated 2 months ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 4 years ago
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- A Monte Carlo transport mini-app for studying new parallel algorithms☆19Sep 25, 2026Updated 2 weeks ago
- Langevin and Hybrid Quantum Monte Carlo Simulations of Electron-Phonon Models☆14Aug 15, 2022Updated 4 years ago