Python Package Best Practices: About

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Since its launch in 2016, The Molecular Sciences Software Institute, has served as a nexus for the broad computational molecular sciences community by providing software expertise, community engagement and leadership, and education and training. Through a broad array of software infrastructure projects, teaching workshops, and community outreach, the MolSSI is catalyzing the scientific advances needed to solve emerging scientific computing Grand Challenges.

Education of students, post-docs, and faculty on programming and Best Practices in Software Development is a large part of MolSSI's mission. Our education program consists of our cohorts of Software Fellows, online training materials, and multiple workshops online or in-person at various locations each year.

MolSSI’s education techniques and practices are modeled after The Software Carpentries style to teaching novice software best practices. This approach teaches subjects that not only increase a student’s scientific capability and efficiency, but also his/her future marketability in both scientific and non-scientific fields.