This is a mirror. Please check our main website on gitlab.
☆30Jan 14, 2026Updated 3 months ago
Alternatives and similar repositories for inq
Users that are interested in inq are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆18Mar 31, 2025Updated last year
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆11Oct 13, 2017Updated 8 years ago
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆17Dec 11, 2025Updated 4 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Computational chemistry with free and open source software☆19Feb 2, 2022Updated 4 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.
- Post-processing toolkit for electronic structure calculations☆18Mar 17, 2026Updated 3 weeks ago
- Tracking citations of atomistic simulation engines☆27Mar 25, 2026Updated 2 weeks ago
- Many-Body Perturbation solvers for Green project☆13Updated this week
- C++ based DFT program for educational purposes☆63Dec 14, 2024Updated last year
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆22Dec 28, 2021Updated 4 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Nov 30, 2022Updated 3 years ago
- Python-based Fermi-Löwdin orbital self-interaction-correction☆23Oct 7, 2022Updated 3 years ago
- TensorFlow linear-algebra backend for QuTiP☆16Apr 4, 2024Updated 2 years ago
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆223Apr 7, 2026Updated last week
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 4 years ago
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 3 years ago
- Notebooks accompanying the paper on GPR in materials and molecules in Chemical Reviews 2020☆12May 4, 2021Updated 4 years ago
- ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or …☆35Dec 7, 2023Updated 2 years ago
- Two-temperature model (TTM) parameters (G, Ce, K) calculated with XTANT-3☆14Nov 30, 2025Updated 4 months ago
- Gentoo ebuild (community provided)☆10Nov 25, 2025Updated 4 months ago
- Some notes on the relationship between the Legendre and Fourier transforms☆11Dec 18, 2025Updated 3 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆107Nov 4, 2025Updated 5 months ago
- Supplementary materials for the paper: Benchmarking the Parallel 1D Heat Equation Solver in Chapel, Charm++, C++, HPX, Go, Julia, Python,…☆15Sep 5, 2024Updated last year
- Library for Green’s function based electronic structure theory calculations☆28Nov 11, 2025Updated 5 months ago
- ☆15Oct 9, 2025Updated 6 months ago
- SALMON 2.0.0 Development Repository☆15Updated this week
- ☆17Updated this week
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Mar 6, 2024Updated 2 years ago
- Linear implementation of DFT calculations (CPU and GPU)☆28Mar 9, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 5 years ago
- MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit…☆30Aug 17, 2025Updated 7 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆16Mar 28, 2026Updated 2 weeks ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆32Nov 10, 2025Updated 5 months ago
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated last month
- Extended conductor-like polarizable continuum solvation model☆24Mar 13, 2025Updated last year