pypi.org "molecular-structures" keyword
View the packages on the pypi.org package registry that are tagged with the "molecular-structures" keyword.
Top 6.2% on pypi.org
118 versions - Latest release: about 2 months ago - 8 dependent packages - 5 dependent repositories - 4.64 thousand downloads last month - 267 stars on GitHub - 2 maintainers
stk 2025.7.17.0 💰
A Python library which allows construction and manipulation of complex molecules, as well as auto...118 versions - Latest release: about 2 months ago - 8 dependent packages - 5 dependent repositories - 4.64 thousand downloads last month - 267 stars on GitHub - 2 maintainers
stko 0.0.40
A collection of molecular optimisers and property calculators for use with stk.22 versions - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 3.39 thousand downloads last month - 24 stars on GitHub - 2 maintainers
moly 0.2.1
Molecular Visualization powered by Plotly3 versions - Latest release: about 5 years ago - 1 dependent repositories - 18 downloads last month - 18 stars on GitHub - 1 maintainer
lightdock 0.9.4 💰
A macromolecular docking framework20 versions - Latest release: about 2 years ago - 1 dependent repositories - 290 downloads last month - 341 stars on GitHub - 1 maintainer
Top 2.5% on pypi.org
53 versions - Latest release: 2 months ago - 44 dependent packages - 37 dependent repositories - 131 thousand downloads last month - 212 stars on GitHub - 1 maintainer
gemmi 0.7.3
library for structural biology53 versions - Latest release: 2 months ago - 44 dependent packages - 37 dependent repositories - 131 thousand downloads last month - 212 stars on GitHub - 1 maintainer
pycontact 1.0.4
PyContact2 versions - Latest release: about 5 years ago - 1 dependent repositories - 28 downloads last month - 42 stars on GitHub - 1 maintainer
Top 2.1% on pypi.org
21 versions - Latest release: about 1 year ago - 14 dependent packages - 51 dependent repositories - 19.2 thousand downloads last month - 735 stars on GitHub - 1 maintainer
biopandas 0.5.1
Machine Learning Library Extensions21 versions - Latest release: about 1 year ago - 14 dependent packages - 51 dependent repositories - 19.2 thousand downloads last month - 735 stars on GitHub - 1 maintainer
ani1datatools 0.0.3
package used to access the ANI-1 data set3 versions - Latest release: over 3 years ago - 1 dependent repositories - 28 downloads last month - 98 stars on GitHub - 1 maintainer
Related Keywords
chemistry
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cheminformatics
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protein-structure
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bioinformatics
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molecular-modeling
3
structural-biology
2
pdb-files
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protein
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computational-biology
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dna
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computational-chemistry
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computational-science
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CCP4
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MTZ
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ccp4
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cif
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mmcif
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mtz
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opendata
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computational
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machine-learning
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biophysics
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simulation
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biology
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visualization
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pdb
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biomolecules
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analysis
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biochemistry
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pandas-dataframe
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molecules
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dynamics
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molecule
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interactions
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molecular-dynamics
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drug-discovery
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mol2
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materials-design
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materials-science
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materials-screening
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molecular-evolution
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reactions
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jupyter
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plotly
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artificial-intelligence
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bioinformatics-tool
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docking
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molecular-biology
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peptides
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protein-design
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protein-dna-interactions
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protein-docking
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protein-protein-interaction
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proteomics
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structural-bioinformatics
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structural bioinformatics
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structural biology
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crystallography
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CIF
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mmCIF
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