Artificial Intelligence for Materials Science group
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gcnn_keras
gcnn_keras PublicGraph convolutions in Keras with TensorFlow, PyTorch or Jax.
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perovskite_htm_screening
perovskite_htm_screening PublicCode for paper "Accelerating the discovery of materials for integrated/complex device"
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- hat_pes_learning Public
Data generation scripts and ML potential training scripts for the paper 'Learning Potential Energy Surfaces of Hydrogen Atom Transfer Reactions in Peptides'.
aimat-lab/hat_pes_learning’s past year of commit activity - PAL_fluidop Public Forked from aimat-lab/PAL
Active learning workflow with data and task parallelism through MPI
aimat-lab/PAL_fluidop’s past year of commit activity - AutoSlurm Public
Tool that writes slurm job scripts based on templates and starts them for you. Includes support for multi-task multi-GPU jobs, infinite chain jobs, and hyperparameter sweeps.
aimat-lab/AutoSlurm’s past year of commit activity
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