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diffdock

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History: 68 commits

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Update pre-requirements.txt

df3b79c about 1 year ago

baselines
first commit about 2 years ago
confidence
first commit about 2 years ago
data
add protein ligand about 2 years ago
datasets
Update datasets/pdbbind.py about 1 year ago
esm
add test set examples about 2 years ago
examples
fix:zip file path, memory consumption, feat: surface toggle, 6moa example about 2 years ago
models
first commit about 2 years ago
utils
first commit about 2 years ago
visualizations
first commit about 2 years ago
workdir
add lfs models about 2 years ago
.gitattributes

1.86 kB

add gitlfs about 2 years ago
.gitignore

2.06 kB

fix req, add esm about 2 years ago
LICENSE

1.1 kB

Create LICENSE about 2 years ago
README.md

8.74 kB

Update README.md about 1 year ago
app.py

20.5 kB

Update app.py about 1 year ago
environment.yml

1.99 kB

first commit about 2 years ago
evaluate.py

35.7 kB

first commit about 2 years ago
evaluate_confidence_calibration.py

27.8 kB

first commit about 2 years ago
inference.py

13.7 kB

first commit about 2 years ago
pre-requirements.txt

268 Bytes

Update pre-requirements.txt about 1 year ago
requirements.txt

136 Bytes

Update requirements.txt about 1 year ago
train.py

7.67 kB

first commit about 2 years ago