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molecular-simulation

Here are 5 public repositories matching this topic...

DrugBud-Suite / CADD_Vault

chemistry cheminformatics molecular-dynamics computational-biology computational-chemistry molecular-simulation compchem computational-physics drug-discovery drug-repurposing drugs chemoinformatics drug-design protein-ligand-interactions virtual-screening molecular-modeling sbvs

Updated Mar 16, 2025
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yagikiyoshi / sindo

A suite of programs for molecular vibrational analyses

molecular-simulation vibrational-analysis anharmonicity

Updated Feb 13, 2025
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mlund / SI-thiocyanate

A Molecular Forcefield for Thiocyanate Anions in Water and at Interfaces

chemistry molecular-dynamics statistical-mechanics reproducible-science molecular-simulation force-field

Updated May 27, 2021
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TomMakesThings / Gillespie-mRNA-Simulator

An mRNA reaction scheme simulator using the Doob-Gillespie algorithm in R

bioinformatics systems-biology molecular-simulation gillespie-algorithm dual-reporter

Updated Nov 28, 2022
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harrydevnull / molecular-render

molecular-simulation

Updated Aug 20, 2017
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