"machine learning"

What's Left for a Computational Chemist To Do in the Age of Machine Learning?
Machine learning (ML) has become a central focus of the computational chemistry community. I will first discuss my personal history in …
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What's Left for a Computational Chemist To Do in the Age of Machine Learning?
Making machine learning a useful tool in the accelerated discovery of transition metal complexes
As machine learning (ML) has matured, it has opened a new frontier in theoretical and computational chemistry by offering the promise …
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Making machine learning a useful tool in the accelerated discovery of transition metal complexes