Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About
Search results for physics quantum chemistry
physics
x
quantum-chemistry
x
15 search results found
Psi4
⭐
875
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Cp2k
⭐
722
Quantum chemistry and solid state physics software package
Computationalphysics2
⭐
143
Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2 with an emphasis on computational quantum mechanics, machine learning and quantum computing.
Fermi.jl
⭐
92
Fermi quantum chemistry program
Hartreefock
⭐
41
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
Symmer
⭐
35
An efficient Python-based framework for implementing qubit subspace methods, reducing the resource requirements for near-term quantum simulations.
Soaplite
⭐
31
Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.
Scialgs.jl
⭐
24
Fundamental scientific algorithms in Julia
Spicyphysics
⭐
23
Sup bois, here's my work
Cmlkit
⭐
21
tools for machine learning in condensed matter physics and quantum chemistry
Ase Espresso
⭐
17
ase interface for Quantum Espresso
Haskell Abinitio
⭐
14
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method
Vqmcmolecule
⭐
11
Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach
Nano Qmflows
⭐
9
Package containing several workflows to compute molecular properties for nanomaterials
Xopt
⭐
8
eXternal OPTimizer for quantum chemistry
Related Searches
Python Physics (952)
C Plus Plus Physics (889)
Javascript Physics (702)
Video Game Physics (670)
Jupyter Notebook Physics (357)
Mathematics Physics (239)
C Physics (196)
Physics Quantum (177)
Tex Physics (148)
Python Quantum Chemistry (130)
1-15 of 15 search results
Privacy
|
About
|
Terms
|
Follow Us On Twitter
Copyright 2018-2024 Awesome Open Source. All rights reserved.