Dataset - B2FIND

Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a...

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...

Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab Basic instructions for installing and running the...

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2 datasets found