microsoft/Graphormer
Graphormer is a general-purpose deep learning backbone for molecular modeling.
Graphormer helps researchers and scientists accelerate the discovery of new materials and drugs by enabling them to build and train machine learning models for molecules. It takes molecular data as input and outputs predictions about their properties or behaviors, which can guide experiments in fields like materials science and drug development.
2,427 stars. No commits in the last 6 months.
Use this if you are a computational chemist, materials scientist, or pharmaceutical researcher looking to apply deep learning to predict molecular properties for drug or materials discovery.
Not ideal if you are looking for a plug-and-play solution without needing to train custom models or write code, as this is a deep learning package for model development.
Stars
2,427
Forks
376
Language
Python
License
MIT
Category
Last pushed
Jun 07, 2024
Commits (30d)
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