Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions | Journal of Chemical Theory and Computation
Geometry-enhanced molecular representation learning for property prediction | Nature Machine Intelligence
Unusual Sherlock Holmes play premieres at the Klicpera Theatre | Radio Prague International
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy | The Journal of Physical Chemistry A
The National Theatre - Divadelní ústav
Leon Hetzel (@leon_het) / Twitter
COMBINING LABEL PROPAGATION AND SIMPLE MOD- ELS OUT-PERFORMS GRAPH NEURAL NETWORKS
Mathematics | Free Full-Text | Inferring from References with Differences for Semi-Supervised Node Classification on Graphs
Modeling Electronic Response Properties with an Explicit-Electron Machine Learning Potential | Journal of Chemical Theory and Computation
Stephan Günnemann @guennemann@sigmoid.social (@guennemann) / Twitter
High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions | Scientific Data
Theresa C. (@Room7Teach) / Twitter
Unusual Sherlock Holmes play premieres at the Klicpera Theatre | Radio Prague International
Mode.cz - Konečně si na sebe můžeme dát po roce šaty!☀️ Pro inspiraci tu pro vás máme novinku od značky Guess, která je na léto jako dělaná. Šaty mají romantický květovaný vzor
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Beyond potentials: Integrated machine learning models for materials | SpringerLink
Anyone Collect St. Pierre And Miquelon? - Page 2 - Stamp Community Forum
Breanne Allarie
Johannes Gasteiger, né Klicpera (@gasteigerjo) / Twitter
GEOM, energy-annotated molecular conformations for property prediction and molecular generation | Scientific Data
Britney Klicpera (@bklicp) / Twitter
Anomaly Detection in Dynamic Graphs via Transformer
8. Graph Neural Networks — deep learning for molecules & materials
Unusual Sherlock Holmes play premieres at the Klicpera Theatre | Radio Prague International
Domi Unholy
Domi Unholy
