Matbench Discovery simulates the deployment of machine learning (ML) ene...
Datasets in the Natural Sciences are often curated with the goal of aidi...
Electrolytes play an important role in a plethora of applications rangin...
Predicting bioactivity and physical properties of molecules is a longsta...
Bayesian optimisation is an important decision-making tool for high-stak...
Machine learning can accelerate materials discovery by accurately predic...
Machine learning methods may have the potential to significantly acceler...
Predicting bioactivity and physical properties of small molecules is a
c...
Organic synthesis is one of the key stumbling blocks in medicinal chemis...
Deep neural networks are workhorse models in machine learning with multi...
Finding parameters that minimise a loss function is at the core of many
...