NPDtools 2.5.0, 28 November 2019
- NEW: Added NPS method in Dereplicator/VarQuest (see
- NEW: Added support for Python3
- NEW: Added
- CHANGE: Improved documentation and test data for MetaMiner
- CHANGE: Auto-detection of sequence file type in MetaMiner
- FIX: Fixed parsing of MGF files with uncommon fields (once more)
UPDATE from 1 December 2021: added an utility for the creation of NPDtools-compliant databases from SMILES (
smiles2libinfo-1.0.0.tar.gz). The package contains README and sample test data.
NPDtools 2.4.0, 29 March 2019
- NEW: Added SpecNets propagation in MetaMiner (see
- NEW: Added blind search mode in MetaMiner (see
- CHANGE: Improvements in performance of Dereplicator+.