Molecular frequency-dependent response properties for arbitrary operators
☆12Jun 7, 2026Updated this week
Alternatives and similar repositories for pymolresponse
Users that are interested in pymolresponse 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 Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated last year
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆17Oct 25, 2022Updated 3 years ago
- Cookiecutter for setting up python projects with pixi that just work☆37May 26, 2026Updated 2 weeks ago
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- optking: A molecular geometry optimization program☆27Jun 1, 2026Updated last week
- 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.
- ☆17Updated this week
- I can't believe it's NonAbelian!☆33May 26, 2026Updated 2 weeks ago
- Argonne Leadership Computing Facility OpenCL tutorial☆10Aug 22, 2025Updated 9 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- adcc: Seamlessly connect your program to ADC☆40Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated 2 years ago
- Electronegativity equilibration model for atomic partial charges☆26Mar 9, 2026Updated 3 months ago
- Backend for Fuelish website☆13Updated this week
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆71Aug 21, 2024Updated last year
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆18Mar 13, 2023Updated 3 years ago
- Coupled-cluster package written in Python.☆50May 28, 2026Updated 2 weeks ago
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated last month
- Multipurpose ab initio MD program.☆12May 30, 2026Updated last week
- C/Fortran interoperability library☆17May 24, 2019Updated 7 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆62May 24, 2026Updated 2 weeks ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Oct 9, 2025Updated 8 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- systematic molecular fragmentation by annihilation☆11Nov 11, 2019Updated 6 years ago
- Tensor Algebra Library Routines for Shared Memory Systems☆40Nov 30, 2023Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆40May 26, 2026Updated 2 weeks ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- A package for plotting and manipulating 1D spectra☆12Jul 30, 2024Updated last year
- gammcor code☆11Mar 10, 2026Updated 3 months ago
- An API for the Polarizable Continuum Model☆36May 31, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Spin-projected Unrestricted Hartree-Fock program☆10Apr 4, 2026Updated 2 months ago
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- Multi-collinear functional☆10Feb 12, 2026Updated 3 months ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- ☆49Updated this week
- ☆15Jun 1, 2026Updated last week
- ☆11Mar 13, 2021Updated 5 years ago