pypi.org "molecular-descriptors" keyword
View the packages on the pypi.org package registry that are tagged with the "molecular-descriptors" keyword.
moleculapy 1.1.3
A command-line application that utilizes the RDKit library to compute molecular descriptors and f...6 versions - Latest release: 12 months ago - 26 downloads last month - 1 stars on GitHub - 1 maintainer
Top 4.4% on pypi.org
17 versions - Latest release: almost 2 years ago - 6 dependent packages - 13 dependent repositories - 21.1 thousand downloads last month - 211 stars on GitHub - 1 maintainer
padelpy 0.1.16
A Python wrapper for PaDEL-Descriptor software17 versions - Latest release: almost 2 years ago - 6 dependent packages - 13 dependent repositories - 21.1 thousand downloads last month - 211 stars on GitHub - 1 maintainer
alvadescpy 0.1.4
Python wrapper for alvaDesc software5 versions - Latest release: 11 months ago - 1 dependent package - 1 dependent repositories - 79 downloads last month - 10 stars on GitHub - 1 maintainer
molcomplex 1.1.0
Molecular Complexity Calculations4 versions - Latest release: about 1 year ago - 27 downloads last month - 15 stars on GitHub - 1 maintainer
molactivity 1.0.5
Molecular activity prediction using transformer neural networks with 5 operational modes2 versions - Latest release: 3 months ago - 0 stars on GitHub - 1 maintainer
Related Keywords
command-line-wrapper
2
computational-chemistry
2
molecular-fingerprints
2
cheminformatics
2
retrosynthetic-analysis
1
synthesizability
1
molecular-activity
1
machine-learning
1
transformer
1
neural-networks
1
natural-products
1
drug-discovery
1
bioinformatics
1
SMILES
1
molecular-modeling
1
deep-learning
1
pharmaceutical
1
chemical-analysis
1
QSAR
1
drug-development
1
molecular-complexity
1
disconnections
1
complexity-score
1
automation
1
DFT
1
molecular complexity
1
computational chemistry
1
workflows
1
python
1
padel
1
qsar
1
chemoinformatics
1
rdkit
1
fingerprints
1
cli
1