The Molecular Sciences Software Institute serves as a nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists – a broad field including of biomolecular simulation, quantum chemistry, and materials science.

People

At the heart of the MolSSI's effort is a team of molecular scientists, computer scientists, and applied mathematicians with advanced software engineering expertise. The MolSSI team is made up of the Board of Directors, the Science and Software Advisory Board, and the Software Scientists, and the Software Fellows.

Resources

The MolSSI provides access to both software tools and educational materials relevant to the computational molecular sciences. We welcome community contributions to the available resources.

Education & Outreach

The MolSSI supports a series of community-led workshops targeting software-related challenges relevant to the computational molecular sciences, as well as numerous Software Summer Schools focused on students across the U.S.

News & Events

Look here for information about upcoming MolSSI-sponsored events, as well as details regarding Software Fellowships, open Software Scientist positions, and much more.

The Molecular Software Sciences Institute Launches New Open Force Field Consortium

The Molecular Software Sciences Institute Launches New Open Force Field Consortium

The Molecular Software Sciences Institute launches the new Open Force Field Consortium

The Molecular Software Sciences Institute Launches New Open Force Field Consortium

The Molecular Software Sciences Institute Launches New Open Force Field Consortium

The Molecular Software Sciences Institute launches the new Open Force Field Consortium

Mentorship and the MolSSI

Mentorship and the MolSSI

September saw the opening of applications for our 6-month Seed Fellowships, an award that serves to set our Fellows on

MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

A webinar by MolSSI Software Fellow Dr. Eric Irrgang on the gmxapi framework for molecular simulation.