Chemical reaction network and systems biology interface for scientific machine learning (SciML). High performance, GPU-parallelized, and O(1) solvers in open source software.

Molecular simulation in Julia

Graph-based molecule modeling toolkit for cheminformatics

Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.

Fermi quantum chemistry program

Periodic Table for Julians! :fire:

Collection of fundamental physical constants with uncertainties. It supports arbitrary-precision constants

Julia Library for Interatomic Potentials

A Julian abstract interface for atomic structures.

Solid state detector field and charge drift simulation in Julia

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

High-performance simulations of the Porous Electrode Theory for Li-ion batteries

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

Atomic graph models for molecules and crystals in Julia

Differentiable Reacting Flow Modeling Software

A workbench for Quantum Chemistry and Quantum Physics in Julia

Julia package towards classical molecular modeling of nanoporous materials

Efficient calculation of Clifford circuits in Julia.

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

Interface package for featurizing atomic structures

Julia bindings to chemfiles

A Lattice Library for Julia

A Julia wrapper for CoolProp, offering access to thermodynamic properties for fluids and mixtures.

Nucleic and amino acid primitive types

Unitary and Lindbladian evolution in Julia

OpenSMILES parser in Julia

Coherence/phase-locking statistics in Julia

Simulation of Brownian-Based Stochastic Processes

Efficient lattice simulation algorithms - a Julia library

Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia

Generic lab tools in Julia

Julia tools for reading Crystallographic Information Framework (CIF) files and dictionaries

Implement Dynamic Time Warping for sequence alignment in Julia.

Thermodynamic properties of moist air in Julia

Artificial Hydrocarbon Networks (AHNs) in Julia.

A Julia package for sampling the dimer model on a grid

Functions from EDX course "AA432x Composite Materials Overview for Engineers"

Tools for WGBS Methylation analysis