Awesome Lists

Sortable, Filterable Curated Lists of Most Awesome Programming Librarie

lammps

Number of GitHub Stars: 2031+ Number of GitHub Forks: 1636+

Public development project of the LAMMPS MD software package ..

....

2024-04-19

Chemistry

psi4

Number of GitHub Stars: 921+ Number of GitHub Forks: 429+

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python ..

....

2024-04-18

Chemistry

gromacs

Number of GitHub Stars: 652+ Number of GitHub Forks: 313+

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking. ..

....

2024-04-18

Chemistry

madness

Number of GitHub Stars: 167+ Number of GitHub Forks: 61+

Multiresolution Adaptive Numerical Environment for Scientific Simulation ..

....

2024-04-07

Chemistry

reaktoro

Number of GitHub Stars: 145+ Number of GitHub Forks: 50+

a unified framework for modeling chemically reactive systems ..

....

2024-04-05

Chemistry

mpqc

Number of GitHub Stars: 64+ Number of GitHub Forks: 24+

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. ..

....

2024-03-24

Chemistry

seams-core

Number of GitHub Stars: 33+ Number of GitHub Forks: 11+

The d-SEAMS C++ core engine ..

....

2024-04-07

Chemistry

ORCA_(quantum_chemistry_program

Visit https://en.wikipedia.org/wiki/ORCA_(quantum_chemistry_program for more details. ..

....

2020-01-01

Chemistry