Towards quantitative evaluation of crystal structure prediction performance
Lai Wei, Q. Li, Sadman Sadeed Omee, Jianjun Hu
Topics & Concepts
Computer scienceSet (abstract data type)Strengths and weaknessesField (mathematics)Quality (philosophy)Data miningSimilarity (geometry)Machine learningSource codeCode (set theory)Energy (signal processing)AlgorithmArtificial intelligenceMathematicsImage (mathematics)Operating systemProgramming languageStatisticsPure mathematicsEpistemologyPhilosophyMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyComputational Drug Discovery Methods