Repository for all summer program related programs
☆49Jul 24, 2026Updated last month
Alternatives and similar repositories for summer-program
Users that are interested in summer-program 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 step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 5 years ago
- Multipurpose ab initio MD program.☆13Sep 3, 2026Updated 2 weeks ago
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 9 months ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆16Jun 11, 2026Updated 3 months 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.
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- optking: A molecular geometry optimization program☆27Jun 1, 2026Updated 3 months ago
- Quick Reaction Coordinate: normal mode displacement of transition structures☆44Jun 11, 2026Updated 3 months ago
- Tools to facilitate input generation and analysis of FCclasses (see http://www.iccom.cnr.it/en/fcclasses)☆22Jun 19, 2026Updated 3 months ago
- Combining Psi4 and Numpy for education and development.☆400Jan 8, 2024Updated 2 years ago
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 5 years ago
- ☆15Feb 20, 2025Updated last year
- Julia package to do symbolic spin adapted second quantization.☆14Aug 26, 2025Updated last year
- a unified interface for molecular harmonic vibrational frequency calculations☆34May 15, 2026Updated 4 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆76Jul 17, 2026Updated 2 months ago
- ☆62Mar 2, 2026Updated 6 months ago
- Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates☆18Nov 13, 2021Updated 4 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆21Aug 18, 2022Updated 4 years ago
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 5 years ago
- C++ Programming Tutorial in Chemistry☆582Dec 30, 2022Updated 3 years ago
- ☆14Jul 25, 2025Updated last year
- Fast computation of a gaussian and its derivative on a grid.☆32May 20, 2026Updated 4 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆61Apr 24, 2026Updated 4 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆12Jun 11, 2026Updated 3 months ago
- Quantum Package : a programming environment for wave function methods☆80Aug 27, 2026Updated 3 weeks ago
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆12Dec 6, 2023Updated 2 years ago
- JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation☆21Jun 1, 2021Updated 5 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 10 months ago
- Quantum systems containing matrix elements for second quantized solvers☆11Oct 30, 2024Updated last year
- Coupled-cluster package written in Python.☆53May 28, 2026Updated 3 months ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆36Aug 28, 2023Updated 3 years ago
- Molecular structure optimizer☆133Jul 18, 2026Updated 2 months 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.
- ☆26Dec 15, 2025Updated 9 months ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 9 months ago
- ☆12Sep 9, 2020Updated 6 years ago
- Library for the numerical simulation of open quantum systems.☆15Aug 2, 2026Updated last month
- The course materials for "Machine Learning in Chemistry 101"☆91Oct 19, 2020Updated 5 years ago
- Brilliantly Advanced General Electronic-structure Library☆124Mar 31, 2025Updated last year
- davidson iterative diagonalizer☆12Jun 30, 2021Updated 5 years ago