sunqm / pyscfLinks
Python module for quantum chemistry
☆73Updated this week
Alternatives and similar repositories for pyscf
Users that are interested in pyscf are comparing it to the libraries listed below
Sorting:
- ☆52Updated 8 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated 3 weeks ago
- Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.☆155Updated last year
- Efficient parallel quantum chemistry DMRG in MPO formalism☆81Updated 2 weeks ago
- PySCF website and documentation☆30Updated last month
- ☆58Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 11 months ago
- Quantum dynamics package based on tensor network states☆60Updated 3 weeks ago
- ☆51Updated last month
- Python library for real space quantum Monte Carlo☆88Updated last week
- 🎉 Simple restricted Hartree-Fock code in Python☆36Updated 6 years ago
- Files for QMC Workshop 2021☆57Updated 3 years ago
- Quantum Chemistry course resources available on github and other platforms☆51Updated last year
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 4 months ago
- MPI parallelization for PySCF☆34Updated 7 months ago
- OpenFermion plugin to interface with the electronic structure package PySCF.☆108Updated 2 months ago
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆40Updated last week
- PySCF with auto-differentiation☆79Updated 3 weeks ago
- Repository for all summer program related programs☆45Updated 2 years ago
- ☆51Updated this week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆36Updated this week
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- ☆51Updated this week
- ☆22Updated 4 months ago
- general GTO integrals for quantum chemistry☆224Updated last month
- adcc: Seamlessly connect your program to ADC☆35Updated last month
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆41Updated this week
- ☆80Updated this week
- ☆31Updated 8 months ago
- Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.☆34Updated last year