Molecular frequency-dependent response properties for arbitrary operators
☆12May 17, 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☆37Apr 9, 2026Updated last month
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- optking: A molecular geometry optimization program☆27Apr 17, 2026Updated last month
- 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.
- ☆17Apr 10, 2026Updated last month
- I can't believe it's NonAbelian!☆33Jan 5, 2026Updated 4 months ago
- Argonne Leadership Computing Facility OpenCL tutorial☆10Aug 22, 2025Updated 8 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated last year
- Electronegativity equilibration model for atomic partial charges☆24Mar 9, 2026Updated 2 months ago
- adcc: Seamlessly connect your program to ADC☆40May 13, 2026Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆89Jun 8, 2024Updated last year
- Backend for Fuelish website☆13Updated this week
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years 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.
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Aug 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.☆50Nov 17, 2025Updated 6 months ago
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated last month
- Multipurpose ab initio MD program.☆12Updated this week
- C/Fortran interoperability library☆17May 24, 2019Updated 6 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆61May 9, 2026Updated last week
- 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 7 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☆38Mar 27, 2026Updated last month
- 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 2 months ago
- An API for the Polarizable Continuum Model