Generative Models as an Emerging Paradigm in the Chemical Sciences
Dylan M. Anstine(Carnegie Mellon University), Olexandr Isayev(Carnegie Mellon University)
Cited by 290
Related Papers
QSAR without borders
|Chemical Society Reviews|2020|846
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential
|Nature Chemistry|2024|118
Crowdsourced mapping of unexplored target space of kinase inhibitors
|Nature Communications|2021|88
The seventh blind test of crystal structure prediction: structure generation methods
|Acta Crystallographica Section B Structural Science Crystal Engineering and Materials|2024|77
Machine Learning of Reactive Potentials
|Annual Review of Physical Chemistry|2024|70