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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
about 2 years ago
baselines
first commit
about 2 years ago
confidence
first commit
about 2 years ago
data
add protein ligand
about 2 years ago
datasets
add init
about 2 years 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
Safe
1.86 kB
add gitlfs
about 2 years ago
.gitignore
Safe
2.06 kB
fix req, add esm
about 2 years ago
LICENSE
Safe
1.1 kB
Create LICENSE
about 2 years ago
README.md
Safe
8.74 kB
add gitlfs
about 2 years ago
app.py
19.3 kB
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
about 2 years ago
environment.yml
Safe
1.99 kB
first commit
about 2 years ago
evaluate.py
Safe
35.7 kB
first commit
about 2 years ago
evaluate_confidence_calibration.py
Safe
27.8 kB
first commit
about 2 years ago
inference.py
Safe
13.7 kB
first commit
about 2 years ago
requirements.txt
Safe
498 Bytes
fix req
about 2 years ago
train.py
Safe
7.67 kB
first commit
about 2 years ago
