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Author:
Yasmine Nahal
License:
MIT
Summary:
A Human-in-the-loop active learning workflow to improve molecular property predictors with human expert feedback for goal-oriented molecule generation.
Latest version:
0.0.30
Required dependencies:
cairosvg
|
click
|
fcd-torch
|
jupyter
|
matplotlib
|
pydantic
|
pyside2
|
pytdc
|
pyyaml
|
rdeditor
|
scipy
|
torch
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