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diffdock

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103 MB

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4 contributors

History: 68 commits

simonduerr's picture

Update pre-requirements.txt

df3b79c almost 3 years ago

baselines
first commit almost 4 years ago
confidence
first commit almost 4 years ago
data
add protein ligand almost 4 years ago
datasets
Update datasets/pdbbind.py almost 3 years ago
esm
add test set examples almost 4 years ago
examples
fix:zip file path, memory consumption, feat: surface toggle, 6moa example almost 4 years ago
models
first commit almost 4 years ago
utils
first commit almost 4 years ago
visualizations
first commit almost 4 years ago
workdir
add lfs models almost 4 years ago
.gitattributes
1.86 kB
add gitlfs almost 4 years ago
.gitignore
2.06 kB
fix req, add esm almost 4 years ago
LICENSE
1.1 kB
Create LICENSE almost 4 years ago
README.md
8.74 kB
Update README.md almost 3 years ago
app.py
20.5 kB
Update app.py almost 3 years ago
environment.yml
1.99 kB
first commit almost 4 years ago
evaluate.py
35.7 kB
first commit almost 4 years ago
evaluate_confidence_calibration.py
27.8 kB
first commit almost 4 years ago
inference.py
13.7 kB
first commit almost 4 years ago
pre-requirements.txt
268 Bytes
Update pre-requirements.txt almost 3 years ago
requirements.txt
136 Bytes
Update requirements.txt almost 3 years ago
train.py
7.67 kB
first commit almost 4 years ago