Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Psi4 | 875 | 4 months ago | 378 | lgpl-3.0 | C++ | |||||
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python | ||||||||||
Cp2k | 722 | 3 months ago | 4 | March 14, 2022 | 105 | gpl-2.0 | Fortran | |||
Quantum chemistry and solid state physics software package | ||||||||||
Thermo | 517 | 3 | 12 | 6 months ago | 59 | September 17, 2023 | 8 | mit | Python | |
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL) | ||||||||||
Itensor | 347 | 8 months ago | 85 | apache-2.0 | C++ | |||||
A C++ library for efficient tensor network calculations | ||||||||||
Orthopy | 179 | 4 | 3 | 3 months ago | 49 | July 22, 2023 | 8 | |||
:triangular_ruler: Orthogonal polynomials in all shapes and sizes. | ||||||||||
Opem | 178 | 1 | 4 months ago | 13 | June 30, 2021 | 10 | mit | Python | ||
OPEM (Open Source PEM Fuel Cell Simulation Tool) | ||||||||||
Chemlab | 173 | 2 | 6 years ago | 5 | October 25, 2016 | 11 | gpl-3.0 | Python | ||
The chemistry library you were waiting for | ||||||||||
Darwin | 97 | 7 months ago | 1 | other | Jupyter Notebook | |||||
An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and material science. | ||||||||||
Fermi.jl | 92 | 2 years ago | 14 | mit | Julia | |||||
Fermi quantum chemistry program | ||||||||||
Matbench | 88 | 2 | 3 months ago | 5 | July 27, 2022 | 37 | mit | Python | ||
Matbench: Benchmarks for materials science property prediction |