I recently attended the Molecular Sciences Software Institute (MOLSSI) workshop hosted at Stanford. MOLSSI is an NSF-funded consortium that aims to advance molecular simulation software, infrastructure, education, standards, and best practices. The workshop focused on the topics of conformational sampling, molecular simulation workflows, and emerging applications of machine learning in molecular science. The discussion was great and it was a wonderful opportunity to engage with people I hadn't met before, as well as old friends.