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AmelieSchreiber/DiG
DiG is a machine learning model from AmelieSchreiber. Use it for the machine learning task on the model card, and read the license before you ship it in a product. The card lists the license as mit.
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as m…
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Updated Aug 20, 2024
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From the Hugging Face model README
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material discovery, drug discovery, etc. Project website.
The model checkpoints for our paper Predicting equilibrium distributions for molecular systems with deep learning is available under directory Distributional-Graphormer.
Advanced pre-trained versions of Graphormer are available exclusively on Azure Quantum Elements.