In recent years, there has been a notable increase in the scientific community's interest in rational protein design. The prospect of designing an amino acid sequence that can reliably fold into a desired three-dimensional structure and exhibit the i...
Human existence and societal growth are both dependent on the availability of clean and fresh water. Photocatalysis is a type of artificial photosynthesis that uses environmentally friendly, long-lasting materials to address energy and environmental ...
Atomistic machine learning (AML) simulations are used in chemistry at an ever-increasing pace. A large number of AML models has been developed, but their implementations are scattered among different packages, each with its own conventions for input ...