☆67Jun 15, 2025Updated 10 months ago
Alternatives and similar repositories for Dice
Users that are interested in Dice are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19Jul 25, 2022Updated 3 years ago
- ☆14Apr 26, 2026Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 6 months ago
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago
- MRH's research code☆27Apr 27, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- SOC integrals generator with atomic mean field approximation☆10Apr 26, 2026Updated last week
- A modern C++ library for high-performance configuration interaction methods☆20Apr 27, 2026Updated last week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆47Apr 27, 2026Updated last week
- Efficient parallel quantum chemistry DMRG in MPO formalism☆109Apr 28, 2026Updated last week
- ☆60Mar 2, 2026Updated 2 months ago
- ☆25Nov 5, 2025Updated 5 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- 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.
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- ☆10Sep 27, 2024Updated last year
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆49Updated this week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- Python library for real space quantum Monte Carlo☆100Apr 26, 2026Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Dyson equation solvers for Green's function methods☆12Apr 21, 2026Updated last week
- ☆11Mar 13, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- efficient TDDFT-ris based on MOKIT and PySCF☆20Jan 18, 2026Updated 3 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆46Mar 23, 2026Updated last month
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆70Updated this week
- Brilliantly Advanced General Electronic-structure Library☆120Mar 31, 2025Updated last year
- Python Based Auxiliary-Field Quantum Monte Carlo☆26Dec 11, 2023Updated 2 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Jan 20, 2026Updated 3 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Tensor Framework for Cyclic Symmetry☆18Aug 30, 2022Updated 3 years ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- pyblock3: an efficient python block-sparse tensor library☆29Mar 18, 2026Updated last month
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 11 months ago
- ☆17Apr 10, 2026Updated 3 weeks ago
- Ab initio electronic structure beyond density function theory☆32Apr 27, 2026Updated last week
- ☆30Jul 15, 2025Updated 9 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Jul 15, 2025Updated 9 months ago
- ☆38Sep 26, 2025Updated 7 months ago