Molecular Simulation - Summer of Code

Much of science can be explained by the movement and interaction of molecules. Molecular dynamics (MD) is a computational technique used to explore these phenomena, from noble gases to biological macromolecules. Molly.jl is a pure Julia package for MD, and for the simulation of physical systems more broadly. The package is currently under development for research with a focus on proteins and differentiable molecular simulation. There are a number of ways that the package could be improved:

Recommended skills: familiarity with computational chemistry, structural bioinformatics or simulating physical systems.

Expected results: new features added to the package along with tests and relevant documentation.

Mentor: Joe Greener

Contact: feel free to ask questions via email or the JuliaMolSim Slack.