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.