https://github.com/shervoe-hansen/si-cavity-formation

SI for the article named "Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects"
https://github.com/shervoe-hansen/si-cavity-formation

chemistry free-energy-calculations jupyter-notebook molecular-dynamics python solvation

Last synced: 11 days ago
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SI for the article named "Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects"

• Host: GitHub
• URL: https://github.com/shervoe-hansen/si-cavity-formation
• Owner: SHervoe-Hansen
• License: cc-by-4.0
• Created: 2022-11-21T03:53:34.000Z (about 2 years ago)
• Default Branch: master
• Last Pushed: 2023-11-24T12:31:34.000Z (about 1 year ago)
• Last Synced: 2023-11-25T06:48:49.108Z (about 1 year ago)
• Topics: chemistry, free-energy-calculations, jupyter-notebook, molecular-dynamics, python, solvation
• Language: Jupyter Notebook
• Homepage:
• Size: 2.59 GB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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