Offload Eigen operations to GPUs
☆20Feb 3, 2022Updated 4 years ago
Alternatives and similar repositories for EigenCuda
Users that are interested in EigenCuda are comparing it to the libraries listed below
Sorting:
- High-performance computation of the Epstein zeta function, including a Python wrapper☆15Mar 2, 2026Updated last week
- Netlib Scalapack with robust CMake☆14Feb 25, 2026Updated last week
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- ☆11Aug 27, 2024Updated last year
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- moved to https://github.com/Zhaoyilunnn/qdao☆11Aug 30, 2023Updated 2 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 5 months ago
- Calculate observables from neural network-based VMC (NN-VMC).☆17Apr 16, 2025Updated 10 months ago
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆18Nov 24, 2025Updated 3 months ago
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- MPI parallelization for PySCF☆34Nov 1, 2024Updated last year
- A place to store information for the tensor discussions and possible specifications.☆23Jul 2, 2025Updated 8 months ago
- Computational graph states for variational monte carlo☆17Jul 21, 2019Updated 6 years ago
- contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method☆17Jan 25, 2017Updated 9 years ago
- Davidson eigensolver implemented in Fortran☆17Feb 12, 2020Updated 6 years ago
- Donostia Natural Orbital Functional Software☆24Mar 3, 2026Updated last week
- ☆14May 30, 2019Updated 6 years ago
- MWE for using the Eigen library in CUDA kernels☆120Oct 3, 2022Updated 3 years ago
- Computational Chemistry Data Management Library for Machine Learning Force Field Development☆21Mar 3, 2026Updated last week
- An open source program for the description of metastable electronic states in molecules.☆24Apr 26, 2025Updated 10 months ago
- ☆23Jul 23, 2019Updated 6 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆24Nov 7, 2025Updated 4 months ago
- WEST code☆31Mar 3, 2026Updated last week
- Parallel tools for ITensors.jl.☆23Apr 6, 2025Updated 11 months ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆22Jun 7, 2025Updated 9 months ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 9 months ago
- Lightweight implementation of Krylov subspace techniques in Fortran.☆36Feb 23, 2026Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆35Oct 27, 2025Updated 4 months ago
- Fast computation of a gaussian and its derivative on a grid.☆31Sep 26, 2025Updated 5 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 2 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Jul 24, 2024Updated last year
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆29May 13, 2025Updated 9 months ago
- ☆12May 13, 2023Updated 2 years ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year