PubChemFingerPrints

PubChem fingerprint files for fast searching using simsearch of openbabel

pip install chemfps

Name		Name	Last commit message	Last commit date
Latest commit History 5 Commits
Compound_000550001_000575000.sdf.fps		Compound_000550001_000575000.sdf.fps
Compound_000550001_000575000_nnm.txt		Compound_000550001_000575000_nnm.txt
GetSimBatchFromInputArray.sh		GetSimBatchFromInputArray.sh
LICENSE		LICENSE
README.md		README.md
SimSearchPubChemNNBatch.sh		SimSearchPubChemNNBatch.sh
SimSearchPubChemNNBatch2.sh		SimSearchPubChemNNBatch2.sh
SimSearchPubChemNNBatch3.sh		SimSearchPubChemNNBatch3.sh
SimSearchPubChemNNBatch4.sh		SimSearchPubChemNNBatch4.sh
WorkList_FPS0		WorkList_FPS0
WorkList_FPS1		WorkList_FPS1
WorkList_FPS2		WorkList_FPS2
WorkList_FPS3		WorkList_FPS3

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