Software

Software

PySAGES

I contribute to the development of PySAGES (Github repo), a software suite for enhanced sampling simulations. PySAGES leverages machine learning-based techniques and GPU-acceleration [arXiv:2301.04835].

Polyply

I contribute to the development of polyply [Nat. Commun. 2022], a python suite to facilitate modeling workflows involving macromolecules. Here’s the Github repo of the project.

Solvent evaporation

Check out this Github repo for a solvent evaporation protocol that can be used to produce soft matter morphologies as described in JACS 2017, 139, 3697-3705.

More

Check out my Github page for the latest projects and contributions.