Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
juliahub.com "molecular-modeling" keyword
ComplexMixtures 2.1.12
Package to perform minimum-distance distribution analyses of complex solute-solvent interactions99 versions - Latest release: 11 days ago - 12 stars on GitHub
Top 7.4% on juliahub.com
25 versions - Latest release: about 1 month ago - 6 dependent packages - 177 stars on GitHub
MolecularGraph 0.16.1
Graph-based molecule modeling toolkit for cheminformatics25 versions - Latest release: about 1 month ago - 6 dependent packages - 177 stars on GitHub
Clapeyron 0.5.11
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, includi...49 versions - Latest release: about 2 months ago - 2 dependent packages - 181 stars on GitHub
BasisSets 0.1.2
Package to parse Basis Sets from Basis Set Exchange API3 versions - Latest release: 8 months ago - 5 stars on GitHub
Fermi 0.4.0
Fermi quantum chemistry program5 versions - Latest release: over 2 years ago - 129 stars on GitHub
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julia
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chemistry
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phase-equilibrium
1
phase-equilibria
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saft
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thermodynamics
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solvers
1
unifac
1
equation-of-state
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cosmo-sac
1
basis-set-exchange
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computational-chemistry
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coupled-cluster
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physics
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mp2
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mcs
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graph
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cheminformatics
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molecular-simulation
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