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virtual-human-chc
/

MolE

graph-neural-networks

machine-learning

graph-isomorphism-network

molecular-biology

computational-biology

antimicrobial-discovery

high-throughput-screening

virtual-drug-screening

virtual-human-chc

Model card Files Files and versions

MolE

814 MB

1 contributor

History: 17 commits

pavm595's picture

Update environment.yaml

4a67bbc verified about 1 month ago

.gitattributes
1.52 kB

initial commit 3 months ago
LICENSE
1.1 kB

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MolE-XGBoost-08.03.2024_14.20.pkl
10.2 MB
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README.md
10.3 kB

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config.yaml
1.39 kB

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environment.yaml
629 Bytes

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model.pth
804 MB
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