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Duplicated from
simonduerr/diffdock
alphunt
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diffdock-alphunt-demo
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diffdock-alphunt-demo
3 contributors
History:
12 commits
Alejandro Velez
agnostic
c6db559
about 1 year ago
baselines
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago
confidence
Duplicate from simonduerr/diffdock
over 1 year ago
data
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago
datasets
Duplicate from simonduerr/diffdock
over 1 year ago
esm
Duplicate from simonduerr/diffdock
over 1 year ago
examples
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago
models
Duplicate from simonduerr/diffdock
over 1 year ago
utils
Duplicate from simonduerr/diffdock
over 1 year ago
visualizations
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago
workdir
Duplicate from simonduerr/diffdock
over 1 year ago
.gitattributes
1.86 kB
Duplicate from simonduerr/diffdock
over 1 year ago
.gitignore
2.11 kB
share=true
over 1 year ago
LICENSE
1.1 kB
Duplicate from simonduerr/diffdock
over 1 year ago
README.md
8.76 kB
agnostic
about 1 year ago
app.py
20.5 kB
share=false
over 1 year ago
environment.yml
1.99 kB
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago
evaluate.py
35.7 kB
Duplicate from simonduerr/diffdock
over 1 year ago
evaluate_confidence_calibration.py
27.8 kB
Duplicate from simonduerr/diffdock
over 1 year ago
inference.py
13.7 kB
Duplicate from simonduerr/diffdock
over 1 year ago
pre-requirements.txt
265 Bytes
gradio
about 1 year ago
requirements.txt
547 Bytes
Revert "test removing .yml file and whl files"
over 1 year ago
train.py
7.67 kB
Revert "restored whl files, deleted datasets and commented out example section"
over 1 year ago