-
RDKit is open-source
toolkit for cheminformatics. It was
developed by Greg
Landrum with
numerous additional contributions from the
RDKit open
source community...
- yapcwsoft.com/dd/padeldescriptor/
RDKit Yes Yes Yes Yes No No Yes Last
update 2024 Free open
source https://github.com/
rdkit/
rdkit scikit-fingerprints Yes Yes...
-
Bioclipse Blue
Obelisk Chemistry Development Kit ECCE
JOELib OELib Open
Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK...
- 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/...
-
Retrieved 13
August 2023. 15. Scikit-Mol
Integration of Scikit-learn
models and
RDKit featurization scikit-mol on pypi.org 16. scikit-fingerprints
Molecular fingerprints...
-
Bioclipse Blue
Obelisk Chemistry Development Kit ECCE
JOELib OELib Open
Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK...
-
force fields, DFT and semi-empirical methods,
conformational analysis with
RDKit;
partly GPU-accelerated Proprietary, commercial,
gratis trial SCM Ascalaph...
-
Apache License 2.0
Query Abstraction Layer Python MIT
RDFLib Python MIT
RDKit Python BSD-3
Requests Python Apache 2.0 RPyC
Python GPL-2.0 Sage Manifolds...
- 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)....
