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igashov
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DiffLinker
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2f96d45
DiffLinker
/
src
4 contributors
History:
11 commits
igashov
Variable number of samples
abdd514
over 1 year ago
delinker_utils
DiffLinker code
about 2 years ago
__init__.py
0 Bytes
DiffLinker code
about 2 years ago
const.py
Safe
6.17 kB
DiffLinker code
about 2 years ago
datasets.py
Safe
14.3 kB
Pocket-conditioned generation
over 1 year ago
delinker.py
Safe
8.69 kB
DiffLinker code
about 2 years ago
edm.py
Safe
28.2 kB
progress bar
about 2 years ago
egnn.py
Safe
22.7 kB
handle nan values if linker size is small
about 2 years ago
generation.py
Safe
3.72 kB
Variable number of samples
over 1 year ago
lightning.py
Safe
20 kB
Pocket-conditioned generation
over 1 year ago
linker_size.py
Safe
2.94 kB
DiffLinker code
about 2 years ago
linker_size_lightning.py
Safe
17 kB
fix size_nn
about 2 years ago
metrics.py
Safe
5.17 kB
DiffLinker code
about 2 years ago
molecule_builder.py
Safe
3.63 kB
DiffLinker code
about 2 years ago
noise.py
Safe
5.46 kB
DiffLinker code
about 2 years ago
utils.py
Safe
10.4 kB
DiffLinker code
about 2 years ago
visualizer.py
Safe
7.63 kB
DiffLinker code
about 2 years ago