The mainline development distribution for QWalk
☆35Sep 30, 2019Updated 6 years ago
Alternatives and similar repositories for mainline
Users that are interested in mainline are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 7 months ago
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- Python library for real space quantum Monte Carlo☆101Updated this week
- Ab Initio Energies☆10Aug 3, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆101Jul 24, 2021Updated 5 years ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Repository for PseudopotentialLibrary.org website and database☆17Jun 29, 2026Updated last month
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆22May 26, 2026Updated 2 months ago
- Benchmark data for density-functional theory method development.☆20Jul 27, 2026Updated 2 weeks ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 4 years ago
- Fast computation of a gaussian and its derivative on a grid.☆32May 20, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Multi-collinear functional☆10Feb 12, 2026Updated 5 months ago
- Quantum Monte Carlo package, TurboRVB☆31Nov 25, 2025Updated 8 months ago
- Registry for Molecular Simulation Packages☆11Dec 16, 2022Updated 3 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56May 18, 2026Updated 2 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…☆81Aug 8, 2023Updated 3 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 9 months ago
- ☆62Mar 2, 2026Updated 5 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆396Updated this week
- jQMC code implements two real-space ab initio quantum Monte Carlo (QMC) methods. Variatioinal Monte Carlo (VMC) and lattice regularized d…☆20Jul 7, 2026Updated last month
- A modern C++ library for high-performance configuration interaction methods☆21Apr 27, 2026Updated 3 months ago
- MultiResolution Chemistry☆44Jul 15, 2026Updated 3 weeks ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Jul 24, 2024Updated 2 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 3 years ago
- ☆26Nov 5, 2025Updated 9 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 9 months ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆109Feb 11, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆11Jun 11, 2026Updated last month
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆24Jul 2, 2026Updated last month
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆22Updated this week
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 3 years ago
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated last year