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convert molecules to their ECFP4 fingerprint using rdkit

BSD-3-Clause license

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ecfp4.py		ecfp4.py

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mol2ecfp4

convert molecules to their ECFP4 bitstring

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convert molecules to their ECFP4 fingerprint using rdkit

python-script rdkit sdf mol2 ecfp4

BSD-3-Clause license

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