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 | 5 months ago | 45 | October 26, 2023 | 43 | bsd-3-clause | Python | |
Periodic table, physical constants, and molecule parsing for quantum chemistry. | ||||||||||
Qml | 109 | 4 years ago | 34 | August 13, 2018 | 23 | mit | Python | |||
QML: Quantum Machine Learning | ||||||||||
Qubekit | 85 | 9 months ago | 22 | September 30, 2019 | 22 | mit | Python | |||
Quantum Mechanical Bespoke Force Field Derivation Toolkit | ||||||||||
Molcalc | 63 | 2 years ago | 11 | mit | HTML | |||||
MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online | ||||||||||
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 | ||||||||||
Molml | 36 | 5 years ago | 12 | May 25, 2019 | mit | Python | ||||
A library to interface molecules and machine learning. | ||||||||||
Mpqc | 36 | 4 years ago | 2 | C++ | ||||||
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. | ||||||||||
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. | ||||||||||
Quantumdeepfield_molecule | 26 | 3 years ago | mit | Python | ||||||
Quantum deep field for molecule |