**Analytical chemistry, Cheminformatics, Crystallography, Nanochemistry, Quantum/Nuclear chemistry ...** + [Chemistry](#chemistry) + [Material Science](#material-science) + [Molecular Chemistry](#molecular-chemistry) + [Quantum Chemistry](#quantum-chemistry] ---- # Chemistry + [ChemicalKinetics.jl](https://github.com/scidom/ChemicalKinetics.jl) :: Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia. + [Gillespie.jl](https://github.com/sdwfrost/Gillespie.jl) :: Stochastic Gillespie-type simulations using Julia. + [MethylUtils.jl](https://github.com/nw11/MethylUtils.jl) :: Utilities for bisulfite sequencing data. + [Qlab.jl](https://github.com/blakejohnson/Qlab.jl) :: is a data manipulation and analysis tool based on the Savitzky–Golay filter - a digital filter that can be applied to a set of digital data points for the purpose of smoothing the data to increase the signal-to-noise ratio without greatly distorting the signal. Savitzky and Golay's paper is one of the most widely cited papers in the "Analytical Chemistry" journal. + [Synchrony.jl](https://github.com/simonster/Synchrony.jl) :: Coherence/phase-locking statistics in Julia. + [ThermodynamicsTable.jl](https://github.com/DANA-Laboratory/ThermodynamicsTable.jl) :: Thermodynamics table for critical values, heat capacity, etc.. ###### Resources + [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/) ---- # Material Science + [BucklingOfPipes.jl](https://github.com/goedman/BucklingOfPipes.jl) :: This package investigates the buckling behavior of composite pipes, e.g. in long horizontal reach holes. + [ClassicalLaminateTheory.jl](https://github.com/goedman/ClassicalLaminateTheory.jl) :: Laminate model functions used in EDX course "AA432x Composite Materials Overview for Engineers" by K.Y.Lin. ---- # Molecular Chemistry + [Jumos.jl](https://github.com/Luthaf/Jumos.jl) :: JUlia MOlecular Simulation package. ---- # Quantum Chemistry + [DynamicTimeWarp.jl](https://github.com/joefowler/DynamicTimeWarp.jl) :: Implement Dynamic Time Warping for sequence alignment in Julia. + [JuliaQuantum](http://juliaquantum.github.io/), is the umbrella Org for Quantum chemistry, Lindblad dynamics, Quantum tensor network, information and computation, etc... + [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.