Machine learning for molecular thermodynamics
Jiaqi Ding, Nan Xu, Manh Tien Nguyen, Qi Qiao, Yao Shi, Yi He, Qing Shao
Topics & Concepts
Molecular machineComputer scienceArtificial intelligenceMachine learningField (mathematics)NanotechnologyMathematicsMaterials sciencePure mathematicsMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics