pyscf / PySCF_TutorialLinks
☆12Updated 7 years ago
Alternatives and similar repositories for PySCF_Tutorial
Users that are interested in PySCF_Tutorial are comparing it to the libraries listed below
Sorting:
- DMRG and DMRGSCF☆11Updated last year
- Molecular and crystal electromagnetic properties☆20Updated last month
- ☆25Updated 5 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆37Updated 3 weeks ago
- MPI parallelization for PySCF☆34Updated 7 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆25Updated this week
- A full-stack, cross-platform software for generating, compiling, and executing quantum circuits for simulating quantum many-body dynamics…☆17Updated 4 years ago
- PySCF website and documentation☆32Updated last week
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Updated 2 weeks ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆20Updated 2 years ago
- A modular electronic structure theory code☆21Updated 6 years ago
- gammcor code☆11Updated 4 months ago
- MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics☆14Updated 9 months ago
- Amons-based quantum machine learning for quantum chemistry☆24Updated 3 years ago
- davidson iterative diagonalizer☆12Updated 3 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Updated 3 years ago
- 🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package☆8Updated 3 years ago
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Automatic MR based on PySCF☆14Updated 3 weeks ago
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated 2 weeks ago
- Tutorial collection for tequila☆43Updated 11 months ago
- Quantum Chemistry and Computing for the Curious, published by Packt☆43Updated last year
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago
- ☆11Updated 10 months ago
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago
- Python tools for quantum chemical calculations☆17Updated last year
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- ☆15Updated 3 weeks ago
- Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems☆28Updated last month
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 3 years ago