covdrugsim
Package to automate quantum mechanical calculations and molecular dynamics simulations of covalent drugs.
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Description
CovDrugSim is a package that provides functionalities to automate the quantum mechanical calculations and molecular dynamics simulations of covalent drugs.
About
Summary
Package to automate quantum mechanical calculations and molecular dynamics simulations of covalent drugs.
Last Updated
Jul 29, 2025 at 07:48
License
MIT
Total Downloads
44.7K
Supported Platforms
noarch
GitHub Repository
https://github.com/Jon-Ting/covdrugsimDocumentation
https://covdrugsim.readthedocs.io/