Unverified Commit fee2465f authored by Casey Kneale's avatar Casey Kneale Committed by GitHub

Update Chemistry.md

parent deceb932
......@@ -68,7 +68,16 @@
+ [Psychro.jl](https://github.com/pjabardo/Psychro.jl) :: Thermodynamics properties of wet air and gasses.
## Quantum Chemistry
+ [DFTK.jl](https://github.com/JuliaMolSim/DFTK.jl) :: Plane-wave density-functional theory code in Julia.
### JuliaMolSim
+ [Molecular Simulation for Julia](https://github.com/JuliaMolSim) :: Organization for molecular simulations.
+ [DFTK.jl](https://github.com/JuliaMolSim/DFTK.jl) :: Plane-wave density-functional theory code in Julia.
+ [ASE.jl](https://github.com/JuliaMolSim/ASE.jl) :: Julia Bindings for Atomic Simulation Environment.
+ [SHIPs.jl](https://github.com/JuliaMolSim/SHIPs.jl) :: Approximation of Symmetric Functions with Polynomials and Spherical Harmonics.
+ [JuLIP.jl](https://github.com/JuliaMolSim/JuLIP.jl) :: Julia Library for Interatomic Potentials
+ [MolSimPy.jl](https://github.com/JuliaMolSim/MolSimPy.jl) :: Python bindings for molecular simulations.
+ [NeighborLists.jl](https://github.com/JuliaMolSim/NeighborLists.jl) :: neighbour list for particle simulations based on matscipy.
+ [DynamicTimeWarp.jl](https://github.com/joefowler/DynamicTimeWarp.jl) :: Implement Dynamic Time Warping for sequence alignment in Julia.
+ [Cliffords.jl](https://github.com/BBN-Q/Cliffords.jl) :: This library allows for efficient calculation of Clifford circuits by tracking the evolution of X and Z generators (the so-called tableau representation). Ref: http://en.wikipedia.org/wiki/Clifford_algebra
+ [pyquante2](https://github.com/rpmuller/pyquante2/) :: PyQuante is a Quantum Chemistry suite written in Python, with Julia support for HF and methods for integrals.
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment