GitHub - hyian113/GTMGC: Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).

license	mit

Name		Name	Last commit message	Last commit date
Latest commit History 17 Commits
.vscode		.vscode
assets		assets
checkpoints		checkpoints
data		data
experiments		experiments
models		models
molecule3d		molecule3d
results		results
.gitignore		.gitignore
README.md		README.md
config.json		config.json
environment.yaml		environment.yaml
evaluate.py		evaluate.py
gitattributes		gitattributes
prediction_demo.ipynb		prediction_demo.ipynb
pytorch_model.bin		pytorch_model.bin
tokenize_mole.py		tokenize_mole.py

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