5 projects
chemfp
Reference baseline for high-performance cheminformatics fingerprint search benchmarking
smiview
smiview is a command-line, text-mode tool to show the structure of a SMILES string.
mmpdb
A package to identify matched molecular pairs and use them to predict property changes
chemfp-converters
Convert cheminformatics fingerprint files to/from the chemfp formats
smilez
A compressor and decompressor library for cheminformatics SMILES strings
