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igashov
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DiffLinker
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d8600ba
DiffLinker
/
src
4 contributors
History:
13 commits
igashov
Change max batch_size
d8600ba
over 1 year ago
delinker_utils
DiffLinker code
almost 2 years ago
__init__.py
0 Bytes
DiffLinker code
almost 2 years ago
const.py
6.17 kB
DiffLinker code
almost 2 years ago
datasets.py
16 kB
Change max batch_size
over 1 year ago
delinker.py
8.69 kB
DiffLinker code
almost 2 years ago
edm.py
28.2 kB
progress bar
almost 2 years ago
egnn.py
22.7 kB
handle nan values if linker size is small
almost 2 years ago
generation.py
3.77 kB
Change max batch_size
over 1 year ago
lightning.py
20 kB
Pocket-conditioned generation
over 1 year ago
linker_size.py
2.94 kB
DiffLinker code
almost 2 years ago
linker_size_lightning.py
17 kB
fix size_nn
almost 2 years ago
metrics.py
5.17 kB
DiffLinker code
almost 2 years ago
molecule_builder.py
3.63 kB
DiffLinker code
almost 2 years ago
noise.py
5.46 kB
DiffLinker code
almost 2 years ago
utils.py
10.4 kB
DiffLinker code
almost 2 years ago
visualizer.py
7.63 kB
DiffLinker code
almost 2 years ago