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tangHUST
/
AIS-RoChem3D
like
0
PyTorch
chemistry
molecular-representation
3d-molecule
pretraining
License:
cc-by-nc-4.0
Model card
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AIS-RoChem3D
/
examples
7.72 kB
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1 contributor
History:
4 commits
tangHUST
Remove legacy model interfaces from public package
cdba40c
verified
about 1 month ago
example_smiles.csv
78 Bytes
Add clean AIS-RoChem3D inference package and vocab
about 1 month ago
load_checkpoint_keys.py
585 Bytes
Add clean AIS-RoChem3D inference package and vocab
about 1 month ago
run_downstream_demo.py
2.79 kB
Add clean SMILES embedding demo and public featurization
about 1 month ago
run_embedding_demo.py
2.22 kB
Add clean SMILES embedding demo and public featurization
about 1 month ago
smoke_forward.py
2.04 kB
Remove legacy model interfaces from public package
about 1 month ago
