paccmann_predictor / Git / Commit [992277]

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paccmann_predictor

Downloads: 1

Commit [992277]

Initial commit

Authored by: Amanda-D 2025-04-19

Browse code at this revision

Parent: [4c99f1]

Child: [203523]

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added	.github/workflows/build.yml
added	.github/workflows/push_pypi.yml
added	.gitignore
added	LICENSE
added	README.md
added	assets/paccmann.png
added	examples/IC50/conda.yml
added	examples/IC50/example_params.json
added	examples/IC50/paccmann_v2_params.json
added	examples/IC50/test_paccmann.py
added	examples/IC50/train_paccmann.py
added	examples/affinity/affinity.json
added	examples/affinity/conda.yml
added	examples/affinity/predict_affinity.py
added	examples/affinity/regression.json
added	examples/affinity/requirements.txt
added	examples/affinity/train_affinity.py
added	examples/affinity/train_affinity_regression.py
added	paccmann_predictor/__init__.py
added	paccmann_predictor/models/__init__.py
added	paccmann_predictor/models/bimodal_mca.py
added	paccmann_predictor/models/dense.py
added	paccmann_predictor/models/knn.py
added	paccmann_predictor/models/paccmann.py
added	paccmann_predictor/models/paccmann_v2.py

.github/workflows/build.yml Diff Switch to side-by-side view

.github/workflows/push_pypi.yml Diff Switch to side-by-side view

.gitignore Diff Switch to side-by-side view

LICENSE Diff Switch to side-by-side view

README.md Diff Switch to side-by-side view

assets/paccmann.png

Binary file was added.

examples/IC50/conda.yml Diff Switch to side-by-side view

examples/IC50/example_params.json Diff Switch to side-by-side view

examples/IC50/paccmann_v2_params.json Diff Switch to side-by-side view

examples/IC50/test_paccmann.py Diff Switch to side-by-side view

examples/IC50/train_paccmann.py Diff Switch to side-by-side view

examples/affinity/affinity.json Diff Switch to side-by-side view

examples/affinity/conda.yml Diff Switch to side-by-side view

examples/affinity/predict_affinity.py Diff Switch to side-by-side view

examples/affinity/regression.json Diff Switch to side-by-side view

examples/affinity/requirements.txt Diff Switch to side-by-side view

examples/affinity/train_affinity.py Diff Switch to side-by-side view

examples/affinity/train_affinity_regression.py Diff Switch to side-by-side view

paccmann_predictor/init.py Diff Switch to side-by-side view

paccmann_predictor/models/init.py Diff Switch to side-by-side view

paccmann_predictor/models/bimodal_mca.py Diff Switch to side-by-side view

paccmann_predictor/models/dense.py Diff Switch to side-by-side view

paccmann_predictor/models/knn.py Diff Switch to side-by-side view

paccmann_predictor/models/paccmann.py Diff Switch to side-by-side view

paccmann_predictor/models/paccmann_v2.py Diff Switch to side-by-side view

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