Really good perspective on the realities of how AI is used in computational chemistry.
"A significant share of a computational chemist’s time has historically gone toward preparing structures, setting up and monitoring jobs, and reformatting outputs." Amen - this part of the job was always a pain in the neck.
Really good perspective on the realities of how AI is used in computational chemistry.
"A significant share of a computational chemist’s time has historically gone toward preparing structures, setting up and monitoring jobs, and reformatting outputs." Amen - this part of the job was always a pain in the neck.