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MolCRAFT

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1 contributor

History: 11 commits

Atomu2014's picture

openbabel

1112af0 8 months ago

checkpoints
demo init commit 8 months ago
core
remove PIL py3dmol 8 months ago
test_set
add test set files 8 months ago
.gitattributes

1.52 kB

initial commit 8 months ago
.gitignore

37 Bytes

demo init commit 8 months ago
README.md

244 Bytes

initial commit 8 months ago
app.py

3.31 kB

remove PIL py3dmol 8 months ago
display_files.py

969 Bytes

demo init commit 8 months ago
pre-requirements.txt

289 Bytes

openbabel 8 months ago
requirements.txt

69 Bytes

move torch to pre-requirements 8 months ago
sample.py

1.07 kB

demo init commit 8 months ago
sample_for_pocket.py

8.5 kB

remove vina 8 months ago