ngfp_benchmark

Benchmark Tests of Neural Graph Fingerprints

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
data		data
ngfp_data		ngfp_data
LICENSE		LICENSE
README.md		README.md
analysis.ipynb		analysis.ipynb
generate_neural_fp.py		generate_neural_fp.py
pandas_desc.py		pandas_desc.py
rdkit_utils.py		rdkit_utils.py
results.csv		results.csv
xgboost_model.py		xgboost_model.py

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