Unverified Commit 26c71dd9 authored by Casey Kneale's avatar Casey Kneale Committed by GitHub

Update Chemistry.md

reorganizing adding some more things
parent a099ee13
**Analytical chemistry, Cheminformatics, Physical/Organic chemistry, Crystallography, Nanochemistry, Quantum/Nuclear chemistry ...**
+ [Chemistry Input Output](#Chemistry-Input-Output)
+ [Chemical Properties/Resources](#Chemical-Properties/Resources)
+ [Chemical Properties & Resources](#Chemical-Properties-&-Resources)
+ [General](#General)
+ [Thermochemistry](#Thermochemistry)
+ [Quantum Mechanical](#Quantum-Mechanical)
+ [Biochemistry](#Biochemistry)
+ [Chemometrics](#Chemometrics)
+ [Chemoinformatics](#Chemoinformatics)
......@@ -19,9 +17,23 @@
----
# Chemistry Input/Output
# Chemistry Input Output
+ [Chemfiles.jl](https://github.com/chemfiles/Chemfiles.jl) :: A Julia binding for the [Chemfiles](https://github.com/chemfiles/chemfiles) library for reading and writing chemistry related files.
# 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/)
## Thermochemistry
+ [CoolProp](https://github.com/CoolProp/CoolProp.jl) :: CoolProp wrapper for Julia
+ [Lavoisier](https://github.com/longemen3000/lavoisier) :: Thermodynamics models of gasseus compounds.
+ [Psychro.jl](https://github.com/pjabardo/Psychro.jl) :: Thermodynamics properties of wet air and gasses.
# Biochemistry
+ [MethylUtils.jl](https://github.com/nw11/MethylUtils.jl) :: Utilities for bisulfite sequencing data.
+ [DynamicTimeWarp.jl](https://github.com/joefowler/DynamicTimeWarp.jl) :: Implement Dynamic Time Warping for sequence alignment in Julia.
......@@ -62,20 +74,7 @@
+ [ChemicalKinetics.jl](https://github.com/scidom/ChemicalKinetics.jl) :: Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia.
+ [HydrocarbonNets.jl](https://github.com/Ismael-VC/HydrocarbonNets.jl) :: Artificial Hydrocarbon Networks (AHNs) in Julia.
# 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/)
## Thermochemistry
+ [CoolProp](https://github.com/CoolProp/CoolProp.jl) :: CoolProp wrapper for Julia
+ [Lavoisier](https://github.com/longemen3000/lavoisier) :: Thermodynamics models of gasseus compounds.
+ [Psychro.jl](https://github.com/pjabardo/Psychro.jl) :: Thermodynamics properties of wet air and gasses.
## Quantum Chemistry
# Quantum Chemistry
### 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.
......
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