I've split the PubChem HTSFP in two files due the 100Mb limit per file in Github
To rebuild the original file:
- Uncompress both parts:
bzip2 -d HTS_PUBCHEM_ZSCORE_Part01.tsv.bz2 HTS_PUBCHEM_ZSCORE_Part02.tsv.bz2
- Merge all in one file
cat HTS_PUBCHEM_ZSCORE_Part02.tsv >> HTS_PUBCHEM_ZSCORE_Part01.tsv mv HTS_PUBCHEM_ZSCORE_Part01.tsv HTS_PUBCHEM_ZSCORE.tsv; rm HTS_PUBCHEM_ZSCORE_Part02.tsv
To compile the program:
gcc -O3 -lm -fopenmp MI.c -o MI
./MI <set 1> <set 2>
e.g.
./MI lib.csv ref.csv 2.6 3.585952E-02 0.999026 1.242208E-01 0.706604