Open Drug Discovery Toolkit (ODDT) Files

Modular and comprehensive toolkit for use in cheminformatics

This is an exact mirror of the Open Drug Discovery Toolkit (ODDT) project, hosted at https://github.com/oddt/oddt. SourceForge is not affiliated with Open Drug Discovery Toolkit (ODDT). For more information, see the SourceForge Open Source Mirror Directory.

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Name	Modified	Size	InfoDownloads / Week
Parent folder
ODDT 0.6.tar.gz	2018-03-01	41.8 MB	0
ODDT 0.6.zip	2018-03-01	41.8 MB	0
README.md	2018-03-01	403 Bytes	0
Totals: 3 Items		83.5 MB	0

Virtual Screening module has been rewritten to use batches of ligands
Implement scoring functions based on PLEC fingerprints (linear, nn and rf)
Add mol.calccharges method to RDKit backend
Introduce resid and resnum uniformly to both toolkits (index and PDB number)
generators of diverse conformers for OB and RDKit backends
PLEC fingerprint bug fixes
testing is now done by Pytest

Source: README.md, updated 2018-03-01

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Open Drug Discovery Toolkit (ODDT) Files

Modular and comprehensive toolkit for use in cheminformatics

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