A package for simulating batch reactor model with gasphase chemistry, surface chemistry or user defined chemistry

🌊 🦠 🌿 A fast and flexible modelling environment written in Julia for modelling the coupled interactions between ocean biogeochemistry, carbonate chemistry, and physics

Fermi quantum chemistry program

KROME.jl is a lightweight Julia wrapper for KROME, a Fortran library for including chemistry and microphysics in astrophysics simulations.

Models of aerosol chemistry and physics using ModelingToolkit.jl

Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2

Add-on package to ITensors.jl for chemistry.

A workbench for Quantum Chemistry and Quantum Physics in Julia

Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).

A set of various chemistry laws/algorithms

A research-grade quantum chemistry program written in Julia

Models of gas-phase atmospheric chemistry and related processes

Tools for chemometrics and machine learning on high-dimensional data (e.g. Partial least squares regression/discrimination)

A julia package for the manipulation of crystal net representations and topology

Julia interface to the MAGEMin C package

Simple Julia Lattice Boltzmann Solver for Thin Liquid Films and Droplets, approximating the thin film equation.

The basinhopping global optimization algorithm written in the Julia programming language

A julia package for the simulation of stirred tank reactor with surface, gasphase or user defined chemistry models

Julia package for loading many of the data sets available in R

A Julia package for producing publication quality figures based on Makie.jl.

Polynomials for ML: fast evaluation, batching, differentiation

Geothermal Cloud for Machine Learning

Tools to generate and study moment equations for any chemical reaction network using various moment closure approximations

Robust and fast Monte Carlo algorithm for high dimension integration

A Julian toolkit for solid-state chemical theory.

Julia bindings to chemfiles

Aquatic biogeochemistry for PALEO framework

A Julia package for variational Bayesian topic modeling.

Loss optimization under unitary constraint

A collection of tools for chemometrics and machine learning written in Julia.

Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.

Superancillary equations for cubics and PCSAFT

Plasmonic and Dielectric Properties through Wannier Orbitals

A package to calculate typical pair correlations, such as Percus-Yevick, and to calculate specific particle configurations from a given pair correlation.

Modeling Marine Ecosystems At Multiple Scales Using Julia

Judycon.jl implements dynamic connectivity algorithms for Julia programming language. In computing and graph theory, a dynamic connectivity structure is a data structure that dynamically maintains information about the connected components of a graph.

DelaySSAToolkit.jl: a tool in Julia for stochastic simulation with delays

This package provides a numerical method of applying linear noise approximation (LNA) to a given reaction system

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Fast, hackable molecular integrals