CatPred

CatPred is a framework for deep learning of in vitro enzyme kinetic parameters.

Installation

pip install catpred

For development or to run the test suite:

pip install -e .[test,docs]

from catpred import InferenceRunner

runner = InferenceRunner({"checkpoint_paths": ["model.pt"]})
# runner.prepare()
# preds = runner.run([["CCO"]])

See the examples directory for sample inputs.

Name		Name	Last commit message	Last commit date
Latest commit History 123 Commits
.github/workflows		.github/workflows
docs		docs
example		example
external		external
scripts		scripts
src/catpred		src/catpred
tests		tests
.gitignore		.gitignore
.gitmodules		.gitmodules
CHANGELOG.md		CHANGELOG.md
Dockerfile		Dockerfile
LICENSE		LICENSE
LICENSE.txt		LICENSE.txt
README.md		README.md
batch_demo.ipynb		batch_demo.ipynb
colab_demo.ipynb		colab_demo.ipynb
demo_run.py		demo_run.py
predict.py		predict.py
predict.sh		predict.sh
pyproject.toml		pyproject.toml
reproduce_prediction.sh		reproduce_prediction.sh
reproduce_quick.sh		reproduce_quick.sh
reproduce_training.sh		reproduce_training.sh
run		run
single_demo.ipynb		single_demo.ipynb
train.py		train.py