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simonduerr
/
diffdock
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T4
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6
6cc33e5
diffdock
4 contributors
History:
64 commits
simonduerr
Update requirements.txt
6cc33e5
7 months ago
baselines
first commit
over 1 year ago
confidence
first commit
over 1 year ago
data
add protein ligand
over 1 year ago
datasets
Update datasets/pdbbind.py
7 months ago
esm
add test set examples
over 1 year ago
examples
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
over 1 year ago
models
first commit
over 1 year ago
utils
first commit
over 1 year ago
visualizations
first commit
over 1 year ago
workdir
add lfs models
over 1 year ago
.gitattributes
1.86 kB
add gitlfs
over 1 year ago
.gitignore
2.06 kB
fix req, add esm
over 1 year ago
LICENSE
1.1 kB
Create LICENSE
over 1 year ago
README.md
8.74 kB
add gitlfs
over 1 year ago
app.py
20.5 kB
Update app.py
about 1 year ago
environment.yml
1.99 kB
first commit
over 1 year ago
evaluate.py
35.7 kB
first commit
over 1 year ago
evaluate_confidence_calibration.py
27.8 kB
first commit
over 1 year ago
inference.py
13.7 kB
first commit
over 1 year ago
pre-requirements.txt
265 Bytes
Update pre-requirements.txt
about 1 year ago
requirements.txt
136 Bytes
Update requirements.txt
7 months ago
train.py
7.67 kB
first commit
over 1 year ago