Our Vision, Mission and Values

MolSSI’s Vision

To unlock the full potential of computational molecular science by providing researchers worldwide with open-source software for molecular and materials research, while cultivating a collaborative and inclusive ecosystem that drives innovation.

MolSSI’s Mission

Our mission is to develop and promote the adoption of user-friendly, open-source software solutions for molecular and materials science research, fostering interdisciplinary collaboration and innovation to advance the global scientific community.

MolSSI’s Values


We are dedicated to empowering scientific researchers and developers with essential software and educational resources, enabling them to make meaningful contributions to the scientific community.


We actively facilitate the sharing of ideas, knowledge, and expertise between researchers, fostering a global network of collaboration that drives innovation and scientific progress.


We prioritize the development of software that is user-friendly, adaptable, and accessible to researchers of varying skill levels, enabling the widest possible range of users to benefit from and contribute to our tools.


Our commitment to neutrality ensures that our software solutions are unbiased and reliable, fostering trust and transparency within the community.


We unite a diverse team of experts in molecular/materials science, computer science, and software development, continuously enhancing our understanding and offerings to meet researchers’ evolving needs.