Very Accurate Multiresolution Python Routines
☆15Jun 11, 2026Updated last month
Alternatives and similar repositories for vampyr
Users that are interested in vampyr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MultiResolution Computation Program Package☆16Jun 9, 2026Updated last month
- MultiResolution Chemistry☆44Updated this week
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- ☆10Sep 27, 2024Updated last year
- An MPO-based DMRG code for Quantum Chemistry☆15Jul 11, 2018Updated 8 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.
- Multiresolution Adaptive Numerical Environment for Scientific Simulation☆219Updated this week
- ☆25Nov 8, 2023Updated 2 years ago
- Coupled-cluster package written in Python.☆50May 28, 2026Updated last month
- MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics☆18Sep 3, 2024Updated last year
- Main repository for the CP-PAW code☆12Jun 1, 2026Updated last month
- LUMI containers - recipes and build/tests infrastructure.☆10Mar 18, 2025Updated last year
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Jun 26, 2026Updated 3 weeks 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.
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆19Nov 24, 2025Updated 7 months ago
- Let's benchmark quantum chemistry packages!☆23Nov 3, 2020Updated 5 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆45Jul 8, 2026Updated last week
- Library for Green’s function based electronic structure theory calculations☆28Apr 16, 2026Updated 3 months ago
- Donostia Natural Orbital Functional Software☆27May 18, 2026Updated 2 months ago
- TD-DMRG and VHCI package☆11Jul 24, 2025Updated 11 months ago
- SYCL materials for ENCCS workshop☆25Apr 25, 2023Updated 3 years ago
- General Astrophysical Simulation System☆13Apr 27, 2026Updated 2 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.
- Tool to run many small MPI jobs inside of one large MPI job.☆25Mar 17, 2015Updated 11 years ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 6 years ago
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆23Feb 3, 2025Updated last year
- Directed Acyclic Graphs With Modern Fortran☆11May 25, 2023Updated 3 years ago
- ☆14Sep 7, 2023Updated 2 years ago
- An open source program for the description of metastable electronic states in molecules.☆25Apr 27, 2026Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated 2 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago
- 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.
- Automatic MR based on PySCF☆18Jan 25, 2026Updated 5 months ago
- ERKALE -- HF/DFT from Hel☆54Updated this week
- IANN (InterAtomic Neural Network Framework) is an equivariant interatomic neural network potential framework package☆18Updated this week
- xSPDE is an extensible toolbox for solving Stochastic Partial Differential Equations.☆12Mar 9, 2025Updated last year
- ☆19Jul 25, 2022Updated 3 years ago
- FortranCL: a Fortran 90 interface for OpenCL☆11Jun 27, 2024Updated 2 years ago
- Efficient parallel quantum chemistry DMRG in MPO formalism☆122May 29, 2026Updated last month