This is the dedicated forum for collaborating on open-source tools developed and used by the molecular simulation community for understanding chemical behaviors. This workshop supports CoMSEF sessions focusing on molecular simulation reproducibility, usability, software engineering, machine learning, and methods advances, by providing a hands-on coding workshop where authors can guide learners through the tools they’ve developed, and where our community can more efficiently have the group conversations about library use, community standards, and reproducibility that we need. Students looking for more expertise with computational sciences, students and faculty who wish to get practice with recent developments in molecular simulation tools, and investigators building software packages whose visibility would be mutually beneficial to their work and the molecular simulation community will all be served by this workshop.

Computational Molecular Science and Engineering Forum