-
RDKit is open-source
toolkit for cheminformatics. It was
developed by Greg
Landrum with
numerous additional contributions from the
RDKit open
source community...
- kode-solutions.net/products_dragon.php
Mordred 1826 No Yes No No
Based on
RDKit Free open
source https://github.com/mordred-descriptor PaDEL-descriptor...
- htm Open
Babel Open
source C++, Python, Java, Perl, C#, Ruby http://openbabel.org/ ,
RDKit BSD-3-Clause
License C++,
Python https://www.
rdkit.org/...
-
Cheminformatics Toolkit Bioclipse Blue
Obelisk Chemistry Development Kit ECCE
JOELib OELib Open
Babel RDKit Proprietary Canvas Chemicalize Discovery Studio...
-
force fields, DFT and semi-empirical methods,
conformational analysis with
RDKit;
partly GPU-accelerated Proprietary, commercial,
gratis trial SCM Ascalaph...
-
Cheminformatics Toolkit Bioclipse Blue
Obelisk Chemistry Development Kit ECCE
JOELib OELib Open
Babel RDKit Proprietary Canvas Chemicalize Discovery Studio...
- PMID 34771379.
SAMSON Connect SAMSON 0.7.0 is
available - Macs in
Chemistry RDKit in
SAMSON - Macs in
Chemistry Vaucher,
Alain C.; Reiher,
Markus (2016)....
