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Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a... Dataset
Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the... -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for... Dataset
Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab
