Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Deepqmc | 308 | 5 months ago | 11 | November 20, 2023 | 2 | mit | Python | |||
Deep learning quantum Monte Carlo for electrons in real space | ||||||||||
Qcelemental | 126 | 5 | 20 | 6 months ago | 45 | October 26, 2023 | 43 | bsd-3-clause | Python | |
Periodic table, physical constants, and molecule parsing for quantum chemistry. | ||||||||||
Qubekit | 85 | 9 months ago | 22 | September 30, 2019 | 22 | mit | Python | |||
Quantum Mechanical Bespoke Force Field Derivation Toolkit | ||||||||||
Mcmurchie Davidson | 54 | a year ago | 2 | bsd-3-clause | Python | |||||
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals | ||||||||||
Sharc | 50 | 4 months ago | 22 | gpl-3.0 | Python | |||||
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules. | ||||||||||
Dftcxx | 45 | a year ago | gpl-3.0 | C++ | ||||||
C++ based DFT program for educational purposes | ||||||||||
Hartreefock | 41 | 9 months ago | 12 | gpl-3.0 | C++ | |||||
A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals | ||||||||||
Aimnet | 31 | 4 years ago | 3 | mit | Python | |||||
Atoms In Molecules Neural Network Potential | ||||||||||
Quiqbox.jl | 30 | 4 months ago | mit | Julia | ||||||
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems. | ||||||||||
Pyspectools | 20 | 2 years ago | 10 | mit | Python | |||||
Routines for rotational spectroscopy analysis written in Python 3 |