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simonduerr
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diffdock
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0fc2f31
diffdock
4 contributors
History:
23 commits
Simon Duerr
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
0fc2f31
almost 2 years ago
baselines
first commit
almost 2 years ago
confidence
first commit
almost 2 years ago
data
add protein ligand
almost 2 years ago
datasets
add init
almost 2 years ago
esm
add test set examples
almost 2 years ago
examples
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
almost 2 years ago
models
first commit
almost 2 years ago
utils
first commit
almost 2 years ago
visualizations
first commit
almost 2 years ago
workdir
add lfs models
almost 2 years ago
.gitattributes
1.86 kB
add gitlfs
almost 2 years ago
.gitignore
2.06 kB
fix req, add esm
almost 2 years ago
LICENSE
1.1 kB
Create LICENSE
almost 2 years ago
README.md
8.74 kB
add gitlfs
almost 2 years ago
app.py
19.3 kB
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
almost 2 years ago
environment.yml
1.99 kB
first commit
almost 2 years ago
evaluate.py
35.7 kB
first commit
almost 2 years ago
evaluate_confidence_calibration.py
27.8 kB
first commit
almost 2 years ago
inference.py
13.7 kB
first commit
almost 2 years ago
requirements.txt
498 Bytes
fix req
almost 2 years ago
train.py
7.67 kB
first commit
almost 2 years ago