A framework for evaluating the chemical knowledge and reasoning abilities of large language models against the expertise of chemists

UCSF Chimera—A visualization system for exploratory research and analysis

2004 · 46.971 Zit.

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

2009 · 35.372 Zit.

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1989 · 31.272 Zit.

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

2007 · 29.291 Zit.

<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data

2011 · 24.024 Zit.