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1. pnnl/particlefsl pnnl/particlefsl Public

   Few-shot Learning and Similarity Graph Clustering for Automated Particle Analysis

   Python 1

2. pnnl/downstream_mol_gnn pnnl/downstream_mol_gnn Public

   Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators

   Jupyter Notebook 3

3. pnnl/galas pnnl/galas Public

   Graph-component approach to defect identification in large atomistic simulations

   Python 3

4. pnnl/Active-Sampling-for-Atomistic-Potentials pnnl/Active-Sampling-for-Atomistic-Potentials Public

   Active sampling for neural network potentials: Accelerated simulations of shear-induced deformation in Cu–Ni multilayers

   Python 5