Chemistry Packages
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MethylUtils.jl0Tools for WGBS Methylation analysis
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Dimers.jl1A Julia package for sampling the dimer model on a grid
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Psychro.jl3Thermodynamic properties of moist air in Julia
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ClassicalLaminateTheory.jl4Functions from EDX course "AA432x Composite Materials Overview for Engineers"
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HydrocarbonNets.jl4Artificial Hydrocarbon Networks (AHNs) in Julia.
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DynamicTimeWarp.jl6Implement Dynamic Time Warping for sequence alignment in Julia.
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CrystalInfoFramework.jl10Julia tools for reading Crystallographic Information Framework (CIF) files and dictionaries
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Qlab.jl12Generic lab tools in Julia
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ChemicalKinetics.jl15Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia
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Elsa.jl18Efficient lattice simulation algorithms - a Julia library
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Brownian.jl19Simulation of Brownian-Based Stochastic Processes
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QSimulator.jl20Unitary and Lindbladian evolution in Julia
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Synchrony.jl22Coherence/phase-locking statistics in Julia
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OpenSMILES.jl25OpenSMILES parser in Julia
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CoolProp.jl25Julia package
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BioSymbols.jl27Nucleic and amino acid primitive types
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Chemfiles.jl28Julia bindings to chemfiles
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Lattices.jl31A Lattice Library for Julia
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ChemistryFeaturization.jl39Interface package for featurizing atomic structures
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MomentClosure.jl41Tools to generate and study moment equations for any chemical reaction network using various moment closure approximations
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Arrhenius.jl44Differentiable Reacting Flow Modeling Software
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Cliffords.jl44Efficient calculation of Clifford circuits in Julia.
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QuantumLab.jl46A workbench for Quantum Chemistry and Quantum Physics in Julia
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PETLION.jl47High-performance simulations of the Porous Electrode Theory for Li-ion batteries
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PorousMaterials.jl48Julia package towards classical molecular modeling of nanoporous materials
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ReactionMechanismSimulator.jl54The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
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ChemometricsTools.jl57A collection of tools for chemometrics and machine learning written in Julia.
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AtomicGraphNets.jl58Atomic graph models for molecules and crystals in Julia
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SolidStateDetectors.jl59Solid state detector field and charge drift simulation in Julia
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AtomsBase.jl66A Julian abstract interface for atomic structures.
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JuLIP.jl72Julia Library for Interatomic Potentials
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PhysicalConstants.jl92Collection of fundamental physical constants with uncertainties. It supports arbitrary-precision constants
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PeriodicTable.jl96Periodic Table for Julians! :fire:
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Fermi.jl116Fermi quantum chemistry program
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Clapeyron.jl129Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
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MolecularGraph.jl167Graph-based molecule modeling toolkit for cheminformatics
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Molly.jl281Molecular simulation in Julia
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Catalyst.jl342Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software
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