Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
☆30May 13, 2025Updated last year
Alternatives and similar repositories for QMCTorch
Users that are interested in QMCTorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Statistical models to predict new materials☆14May 9, 2023Updated 3 years ago
- ☆23Oct 23, 2026Updated 2 weeks ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- A research codebase for Fock-space variational Monte Carlo☆14Aug 25, 2026Updated 2 months ago
- Python library for real space quantum Monte Carlo☆101Updated this week
- 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.
- QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bo…☆12Updated this week
- decodense: Atom- and orbital-wise decompositions of mean-field molecular properties.☆14Updated this week
- Atoms and molecules with quantum Monte Carlo.☆11Dec 1, 2022Updated 3 years ago
- Deep learning quantum Monte Carlo for electrons in real space☆423Oct 7, 2026Updated last month
- A framework based on Tensorflow for running variational Monte-Carlo simulations of quantum many-body systems.☆37Oct 30, 2020Updated 6 years ago
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆71Sep 3, 2026Updated 2 months ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆74Oct 24, 2026Updated 2 weeks ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years 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.
- Data and scripts for comprehensive benchmark of conformer relative energies☆27Jul 9, 2020Updated 6 years ago
- Quantum Monte Carlo package, TurboRVB☆33Nov 25, 2025Updated 11 months ago
- Many-body dispersion library☆67Sep 21, 2026Updated last month
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- Computational graph states for variational monte carlo☆17Jul 21, 2019Updated 7 years ago
- Quantum tomography on optical two qubit states☆12Jul 19, 2020Updated 6 years ago
- A modern C++ library for high-performance configuration interaction methods☆23Apr 27, 2026Updated 6 months ago
- Spin-projected Unrestricted Hartree-Fock program☆10Jul 1, 2026Updated 4 months ago
- Tensorflow 1.x Quantum Simulator☆14Jun 17, 2022Updated 4 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.
- Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic st…☆413Updated this week
- MPS representation of RBM☆23Mar 1, 2018Updated 8 years ago
- Repository for all summer program related programs☆49Jul 24, 2026Updated 3 months 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
- NN PES for reactions.☆11May 27, 2022Updated 4 years ago
- Batched routines (BLAS, LAPACK, etc.) for multi-dimensional arrays☆12Apr 10, 2022Updated 4 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆34Jul 10, 2022Updated 4 years ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30May 12, 2022Updated 4 years ago
- Open source stochastic quantum chemistry☆81Oct 19, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Materials used in a school on QMC methods☆25Aug 1, 2019Updated 7 years ago
- jQMC code implements two real-space ab initio quantum Monte Carlo (QMC) methods. Variatioinal Monte Carlo (VMC) and lattice regularized d…☆24Oct 31, 2026Updated last week
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆22Aug 18, 2022Updated 4 years ago
- Solving Quantum Statistical Mechanics with Variational Autoregressive Networks and Quantum Circuits☆36Jan 29, 2024Updated 2 years ago
- Groundstate Reconstructive Energies using Neural Autoregressive Distribution Estimators (GreNADE)☆10Apr 1, 2022Updated 4 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago