https://github.com/vtlim/vtlim

https://github.com/vtlim/vtlim

Last synced: about 1 month ago
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• Host: GitHub
• URL: https://github.com/vtlim/vtlim
• Owner: vtlim
• Created: 2023-07-21T20:56:47.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-07-08T21:26:07.000Z (6 months ago)
• Last Synced: 2024-10-16T20:35:53.198Z (2 months ago)
• Size: 24.4 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
### 👋 Hi! I'm Victoria

I write docs. Past identities include computational chemistry researcher and patent scientist. My GitHub repos mostly pertain to one of those three categories—tech writing, science, or patents.

#### 📝 Technical writing

* [tech-docs](https://github.com/vtlim/tech-docs): Jupyter notebooks for technical exploration (e.g., Kafka + Druid); scripts for docs infrastructure

#### 🔬 Science

* [plot_potential](https://github.com/vtlim/plot_potential): visualize functions that comprise molecular mechanics force fields (__figures for presentations__)

* [misc](https://github.com/vtlim/misc): basic stats and plots (__figures for [publications](https://scholar.google.com/citations?hl=en&user=aGYEEPUAAAAJ&view_op=list_works)__);  configuration for Grace and VMD; OpenEye OEChem utilities

* [dihedral-scan](https://github.com/vtlim/dihedral-scan): determine the potential energy function of a dihedral angle in a molecule using NAMD

* [benchmarkff](https://github.com/MobleyLab/benchmarkff): comparison of optimized geometries and energies from various force fields with respect to a QM reference

* [off_psi4](https://github.com/vtlim/off_psi4): quantum mechanical analysis of molecular conformers (moved to [MobleyLab/quanformer](https://github.com/MobleyLab/quanformer))

* [permeability](https://github.com/vtlim/permeability): data analysis from NAMD simulations on calculating membrane permeabilities

* [GLIC](https://github.com/vtlim/GLIC): analysis and visualization for cryo-EM density-fitting simluations using GROMACS

* [Hv1](https://github.com/vtlim/Hv1): setup and analysis of free energy perturbation calculations of the Hv1 protein using NAMD

* [mismatch](https://github.com/vtlim/mismatch): web app to find mismatched base pairs between hybridized DNA sequences

#### 🌎  Patents

* [patfam](https://github.com/vtlim/patfam): web app for analysis of patent families across different jurisdictions (collaborations welcome! 👯)

* [textsmoosh](https://github.com/vtlim/textsmoosh): web app to process and combine multi-line text into a single line

* [excel](https://github.com/vtlim/excel): (private) scripts for Microsoft Excel to automate processing _in vitro_ and _in vivo_ hit-to-lead results from thousands of HTS biomolecules