https://github.com/gasteigerjo/dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)
https://github.com/gasteigerjo/dimenet

architecture paper pretrained-models

Last synced: about 1 month ago
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DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules" (NeurIPS-W 2020)

• Host: GitHub
• URL: https://github.com/gasteigerjo/dimenet
• Owner: gasteigerjo
• License: other
• Created: 2020-02-14T12:40:15.000Z (almost 5 years ago)
• Default Branch: master
• Last Pushed: 2023-10-03T09:57:19.000Z (about 1 year ago)
• Last Synced: 2024-08-03T19:08:26.837Z (5 months ago)
• Topics: architecture, paper, pretrained-models
• Language: Python
• Homepage: https://www.daml.in.tum.de/dimenet
• Size: 217 MB
• Stars: 278
• Watchers: 4
• Forks: 58
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.md

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