https://github.com/augus1999/torch_cmret
Official PyTorch implementation of "Comprehensive Molecular Representation from Equivariant Transformer" paper https://arxiv.org/abs/2308.10752. Made in Cardiff University.
https://github.com/augus1999/torch_cmret
chemistry force-fields machine-learning pytorch transformer
Last synced: about 1 year ago
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Official PyTorch implementation of "Comprehensive Molecular Representation from Equivariant Transformer" paper https://arxiv.org/abs/2308.10752. Made in Cardiff University.
- Host: GitHub
- URL: https://github.com/augus1999/torch_cmret
- Owner: Augus1999
- License: gpl-3.0
- Created: 2022-12-09T20:38:23.000Z (over 3 years ago)
- Default Branch: main
- Last Pushed: 2025-04-06T07:24:41.000Z (about 1 year ago)
- Last Synced: 2025-04-06T08:27:02.571Z (about 1 year ago)
- Topics: chemistry, force-fields, machine-learning, pytorch, transformer
- Language: Python
- Homepage: https://arxiv.org/abs/2308.10752
- Size: 288 MB
- Stars: 3
- Watchers: 1
- Forks: 1
- Open Issues: 0
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Metadata Files:
- Readme: README.md
- License: LICENSE