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main
diffdock
103 MB
4 contributors
History:
68 commits
simonduerr
Update pre-requirements.txt
df3b79c
about 2 years ago
baselines
first commit
over 3 years ago
confidence
first commit
over 3 years ago
data
add protein ligand
over 3 years ago
datasets
Update datasets/pdbbind.py
about 2 years ago
esm
add test set examples
over 3 years ago
examples
fix:zip file path, memory consumption, feat: surface toggle, 6moa example
over 3 years ago
models
first commit
over 3 years ago
utils
first commit
over 3 years ago
visualizations
first commit
over 3 years ago
workdir
add lfs models
over 3 years ago
.gitattributes
1.86 kB
add gitlfs
over 3 years ago
.gitignore
2.06 kB
fix req, add esm
over 3 years ago
LICENSE
1.1 kB
Create LICENSE
over 3 years ago
README.md
8.74 kB
Update README.md
about 2 years ago
app.py
20.5 kB
Update app.py
about 2 years ago
environment.yml
1.99 kB
first commit
over 3 years ago
evaluate.py
35.7 kB
first commit
over 3 years ago
evaluate_confidence_calibration.py
27.8 kB
first commit
over 3 years ago
inference.py
13.7 kB
first commit
over 3 years ago
pre-requirements.txt
268 Bytes
Update pre-requirements.txt
about 2 years ago
requirements.txt
136 Bytes
Update requirements.txt
about 2 years ago
train.py
7.67 kB
first commit
over 3 years ago
