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Published October 30, 2017 | Version v1.9.2

drugdata/D3R: molfilevalidator added and blastnfilter memory fix

Description

  • Added molfilevalidator.py to validate D3R submission tarfiles. Issue #165

  • evaluation.py now generates RMSD.json which is a JSON version of RMSD files. Issue #143

  • Added a fix to deal with out of memory errors encountered in blastnfilter stage. Issue #5

Files

drugdata/D3R-v1.9.2.zip

Files (633.7 kB)

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