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Found 4 papers, 3 papers with code
Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation
Lipophilicity is one of the factors determining the permeability of the cell membrane to a drug molecule.
Solving Traffic4Cast Competition with U-Net and Temporal Domain Adaptation
In this technical report, we present our solution to the Traffic4Cast 2021 Core Challenge, in which participants were asked to develop algorithms for predicting a traffic state 60 minutes ahead, based on the information from the previous hour, in 4 different cities.
Traffic4cast at NeurIPS 2021 -- Temporal and Spatial Few-Shot Transfer Learning in Gridded Geo-Spatial Processes
The IARAI Traffic4cast competitions at NeurIPS 2019 and 2020 showed that neural networks can successfully predict future traffic conditions 1 hour into the future on simply aggregated GPS probe data in time and space bins.
Structure-Aware E(3)-Invariant Molecular Conformer Aggregation Networks
Contrary to prior work, we propose a novel 2D--3D aggregation mechanism based on a differentiable solver for the \emph{Fused Gromov-Wasserstein Barycenter} problem and the use of an efficient online conformer generation method based on distance geometry.
