A Python script for rendering cube files generated by Psi4
☆19Mar 30, 2025Updated last year
Alternatives and similar repositories for vmd_cube
Users that are interested in vmd_cube are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python implementation of electronic structure theories for simulating spectroscopic properties☆26Updated this week
- ☆19Aug 9, 2026Updated 2 months ago
- Molecular frequency-dependent response properties for arbitrary operators☆11Updated this week
- SOC integrals generator with atomic mean field approximation☆11Apr 26, 2026Updated 5 months ago
- Library for local orbital scaling correction (LOSC).☆19Jul 4, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A simple cube file viewer based on pythreejs☆24Apr 15, 2026Updated 5 months ago
- Notes on Electronic Structure Theory (CHEM532)☆26Feb 14, 2025Updated last year
- ☆18Aug 18, 2026Updated last month
- A Reusable Library for Second-Order Trust Region Orbital Optimization☆24Updated this week
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- adcc: Seamlessly connect your program to ADC☆42Oct 6, 2026Updated last week
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 6 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 6 years ago
- Python bindings for TBLIS☆19Sep 14, 2026Updated 3 weeks 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.
- ☆19Jul 25, 2022Updated 4 years ago
- ☆15Feb 20, 2025Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 22, 2026Updated 3 months ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆56Updated this week
- GPU-accelerated coupled cluster with density fitting☆19Jun 26, 2018Updated 8 years ago
- MRH's research code☆34Updated this week
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆72Aug 21, 2024Updated 2 years ago
- Learning Machine Learning☆14Aug 24, 2023Updated 3 years ago
- Coupled-cluster package written in Python.☆53May 28, 2026Updated 4 months ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 10 months ago
- Main repository for the CP-PAW code☆14Updated this week
- Open Orbital Optimizer☆38Aug 26, 2026Updated last month
- Python Based Auxiliary-Field Quantum Monte Carlo☆27Dec 11, 2023Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆37Oct 27, 2025Updated 11 months ago
- ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages☆18Aug 28, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- psi4+RDKit☆107May 13, 2025Updated last year
- ☆63Mar 2, 2026Updated 7 months ago
- Multi-collinear functional☆11Feb 12, 2026Updated 8 months ago
- Donostia Natural Orbital Functional Software☆31May 18, 2026Updated 4 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated 2 years ago
- gammcor code☆12Sep 29, 2026Updated 2 weeks ago
- State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI☆14Oct 29, 2025Updated 11 months ago