The software has been used in undergraduate and graduate classes in Boston, including one at MIT.

Rowan, a Boston, MA-based company building molecular design and simulation tools for scientists, raised $2.1M in Pre-Seed funding.

Two brothers and a friend founded the company to provide quantum mechanics–based services for novel drug discovery.

Molecular simulation is in a tough situation. Instead of relying on physical equations for our simulation, perhaps we can approximate them using black-box models.

The use of AI for predicting how molecules behave has made significant but still narrow progress compared to what is possible.

"Our focus is on creating tools that scientists will find indispensable," says Rowan co-founder Corin Wagen.

Rowan ... [is] positioning itself in the legacy of America's great applied R&D labs to foster real-world applications of scientific breakthroughs.

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Rowan is a software platform that makes it possible to run high-level quantum chemical calculations through a web interface.