An n-dimensional rust tensor library
☆54Mar 30, 2026Updated last week
Alternatives and similar repositories for rstsr
Users that are interested in rstsr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A high performance N-dimensional array library for Rust☆45Jun 24, 2025Updated 9 months ago
- ☆30Jul 15, 2025Updated 8 months ago
- eXtended Equivairant Graph Neural Network☆15Jul 23, 2025Updated 8 months ago
- 复旦大学学位Typst论文模板,覆盖本科、硕士、博士三种学位类型,同时支持学术学位与专业学位两种类别。☆24Mar 19, 2026Updated 3 weeks ago
- ☆19Jul 25, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆16Mar 28, 2026Updated 2 weeks ago
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 7 months ago
- A light-weight PyTorch extension for equivariant deep learning☆18Feb 20, 2025Updated last year
- In-Class/Active-Learning Exercises for Quantum Chemistry☆17Aug 13, 2018Updated 7 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated 3 weeks ago
- PyTorch Autodiff DFT-D3 Implementation.☆24Mar 24, 2026Updated 2 weeks ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- ☆10Sep 27, 2024Updated last year
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆36Oct 27, 2025Updated 5 months ago
- An implementation of the Meshless Voronoi algorithm (see: https://hal.inria.fr/hal-01927559/file/voroGPU.pdf)☆18Nov 18, 2024Updated last year
- Amateurish molecular electronic structure program.(for linux)☆24Nov 1, 2016Updated 9 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Mathematics.NET is a C# class library that provides tools for solving advanced mathematical problems.☆17Updated this week
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- ☆46Oct 5, 2024Updated last year
- PRinceton Orbital-Free Electronic Structure Software☆29Jul 19, 2020Updated 5 years ago
- ☆13Jan 11, 2022Updated 4 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Mar 30, 2026Updated last week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- SCAKS-Hub: A flask-powered web app for micro-kinetics analysis☆12Mar 5, 2019Updated 7 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- libDMET with quantum computing chemistry solvers of UCCSD☆16Apr 19, 2023Updated 2 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆68Updated this week
- A simple workflow for minimum energy conformer search based on force field optimization methods (UFF and MMFF94) available from RDKit.☆13May 29, 2020Updated 5 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 3 months ago