Implicit association tests for all: Using iatgen for non-English and offline samples. [PDF]
Santos JO +6 more
europepmc +1 more source
A Critical Assessment of Bonding Descriptors for Predicting Materials Properties
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik +6 more
wiley +1 more source
Community Web Portal for Open Collaboration in the Martini Force Field Initiative
Ramirez-Echemendia DP +6 more
europepmc +1 more source
Community-curated Galaxy interfaces with the Galaxy Labs Engine. [PDF]
Hyde CJ +6 more
europepmc +1 more source
MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa +2 more
wiley +1 more source
A system-wide snapshot: A multi-campus survey of open source contributors at the University of California. [PDF]
Scarlett VT +5 more
europepmc +1 more source
Predicting Performance of Hall Effect Ion Source Using Machine Learning
This study introduces HallNN, a machine learning tool for predicting Hall effect ion source performance using a neural network ensemble trained on data generated from numerical simulations. HallNN provides faster and more accurate predictions than numerical methods and traditional scaling laws, making it valuable for designing and optimizing Hall ...
Jaehong Park +8 more
wiley +1 more source
Correction: A data-driven approach to establishing cell motility patterns as predictors of macrophage subtypes and their relation to cell morphology. [PDF]
Kesapragada M +9 more
europepmc +1 more source
The newly developed AI‐automated Fast Fourier Transform denoising algorithm surpasses conventional real‐space methods by revealing even light atoms otherwise hidden in noisy backgrounds. Atomic resolution electron microscopy has become an essential tool for many scientific fields, when direct visualization of atomic arrangements and defects is needed ...
Ivan Pinto‐Huguet +8 more
wiley +1 more source

