Molecular big data
Using quantum mechanical calculations, a dataset of 62k organic molecules was generated
We generated a dataset of 61,489 molecules extracted from organic crystals in the Cambridge Structural Database. For each molecule, the geometry and several electronic properties calculated with density-functional theory are available. For two subsets, we also supply data from higher level methods, such as hybrid functionals and the GW Green's function method. The dataset is available at . The data is open access and can be freely used for applications, data science and machine learning.
Read more news
The Educational Partnership project is moving forward in Espoo – cooperation between guardians and schools is being developed through participatory methods
The two-year project explores and develops cooperation between guardians and schools using service design methods.
AI companions can comfort lonely users but may deepen distress over time
Long-term use of AI companions may give comfort, but research indicates it may negatively impact users’ wellbeing and their ability to navigate real world relationships.
Scientific conclusions depend on who performs the analysis
More than 450 independent researchers from around the world conducted over 500 re-analyses of datasets from one hundred previously published studies in the social and behavioural sciences. All analysts received the same data and the same central research question, but they were free to carry out the analysis based on their own expert judgment.