Unverified Commit 7915155e authored by Casey Kneale's avatar Casey Kneale Committed by GitHub

Update Chemistry.md

parent bbe416cc
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+ [Biochemistry](#Biochemistry)
+ [Chemometrics](#Chemometrics)
+ [Chemoinformatics](#Chemoinformatics)
+ [Computational Tools](#Computational-Tools)
+ [Material Science](#material-science)
+ [Physical Chemistry](#physical-chemistry)
+ [Colloidal Chemistry](#colloidal-chemistry)
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+ [Synchrony.jl](https://github.com/simonster/Synchrony.jl) :: Coherence/phase-locking statistics in Julia.
+ [OpenSMILES.jl](https://github.com/caseykneale/OpenSMILES.jl) :: OpenSMILES string representations to LightGraphs.jl format.
# Computational Tools
+ [Lattices](https://github.com/JuliaPhysics/Lattices.jl) :: A Lattice Library for 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
# [Molecular Modelling](https://en.wikipedia.org/wiki/Category:Molecular_modelling)
+ [JuLIP.jl](https://github.com/JuliaMolSim/JuLIP.jl) :: Julia Library for Interatomic Potentials.
+ [ASE.jl](https://github.com/JuliaMolSim/ASE.jl) :: Julia Bindings for the [Atomic Simulation Environment (ASE)](https://wiki.fysik.dtu.dk/ase)
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# Chemical Properties/Resources
## General
+ [PeriodicTable.jl](https://github.com/JuliaPhysics/PeriodicTable.jl) :: Well its the periodic table - in Julia!
+ [PhysicalConstants.jl](https://github.com/JuliaPhysics/PhysicalConstants.jl) :: A package containing curated physical constants.
## Quantum Mechanical
+ [Computing colors of molecules with Julia](https://github.com/jiahao/ijulia-notebooks), the [Colors of chemistry notebook](http://jiahao.github.io/julia-blog/2014/06/09/the-colors-of-chemistry.html) and [Chemistry blog](http://jiahao.github.io/julia-blog/)
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+ [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.
### General Registry
+ [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.
+ [QSimulator.jl](https://github.com/BBN-Q/QSimulator.jl) :: Unitary and Lindbladian evolution of quantum states in Julia.
###### Resources
+ [Videos for JuliaQuantum](https://www.youtube.com/channel/UCXeOiWjj3rcYUQqfgelTDWQ) technical talks and meetups.
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