Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "Computational Chemistry" keyword
gmx-clusterbyfeatures 0.1.17
Features Based Conformational Clustering of Molecular Dynamics trajectories.18 versions - Latest release: almost 5 years ago - 1 dependent repositories - 480 downloads last month - 4 stars on GitHub - 1 maintainer
gaussparse 0.1.0
GaussParse is a python package to parse Gaussian output files.1 version - Latest release: about 1 month ago - 182 downloads last month - 1 maintainer
pyobabel 0.1.1
A python binding to openbabel chemical toolbox (http://openbabel.org)1 version - Latest release: almost 6 years ago - 1 dependent repositories - 67 downloads last month - 1 stars on GitHub - 1 maintainer
smilesfeaturizer 0.1.3
A Python package that automatically generates derived variables from a column with SMILES (Simpli...4 versions - Latest release: 8 months ago - 34 downloads last month - 2 stars on GitHub - 1 maintainer
smilesfeature 0.1.15
A Python package that automatically generates derived variables from a column with SMILES (Simpli...16 versions - Latest release: 8 months ago - 119 downloads last month - 2 stars on GitHub - 1 maintainer
mcpoly 0.6.1
Useful tools for Computational Chemistry for polymers21 versions - Latest release: 8 months ago - 204 downloads last month - 0 stars on GitHub - 1 maintainer
Related Keywords
smiles-strings
2
smiles
2
molecule
2
featurizer
2
feature
2
chemistry
2
chemical-engineering
2
bioinformatics
2
biochemistry
2
Chemical Data Analysis
2
Molecular Descriptor Generation
2
Molecular Informatics
2
Cheminformatics
2
SMILES
2
Python
2
Molecular Modeling
2
Computational Drug Design
1
Chemoinformatics
1
Gaussian Software
1
python
1
molecular-dynamics-simulation
1
gromacs
1
clustering
1
Computational Biophysics
1
Molecular Dynamics Simulations
1
ORCA
1
Mechanical Property
1