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Projects in Awesome Lists by vtlim

A curated list of projects in awesome lists by vtlim .

https://github.com/vtlim/permeability

Adaptive biasing force (ABF) & umbrella sampling (US) simulations to calculate membrane permeability

Last synced: 16 Oct 2024

https://github.com/vtlim/plot_potential

Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

computational-chemistry cosine coulomb-interactions energy-functions forcefield harmonic lennard-jones matplotlib molecular-dynamics molecular-modeling molecular-simulation morse potential presentation-materials vdw

Last synced: 18 Nov 2024

https://github.com/vtlim/patfam

Web app to determine whether patent applications from different jurisdictions (USPTO, EPO, WIPO, etc.) are of the same family.

css d3js epo html javascript materializecss patent-applications patent-offices python selenium uspto web-scraping wipo

Last synced: 06 Dec 2024

https://github.com/vtlim/textsmoosh

Web app to process and combine multi-line text into a single line

css flask heroku html python text-editor

Last synced: 06 Dec 2024

https://github.com/vtlim/advent2021

Advent of Code, https://adventofcode.com/

advent-of-code advent-of-code-2021 adventofcode

Last synced: 18 Nov 2024

https://github.com/vtlim/glic

Scripts for fitting GLIC receptor to cryo-EM densities

Last synced: 18 Nov 2024

https://github.com/vtlim/dihedral-scan

Compute dihedral scan in some molecule, such as to compare an MM force field to QM results.

Last synced: 18 Nov 2024

https://github.com/vtlim/misc

Miscellaneous scripts for research and data analysis using Python, OpenEye Python Toolkit, VMD/Tcl, or Grace.

Last synced: 18 Nov 2024

https://github.com/vtlim/stock-market

Exploratory analysis of stock market data in R.

Last synced: 18 Nov 2024

https://github.com/vtlim/shapes

From Github workshop with Caitlin (2/15/18)

Last synced: 18 Nov 2024

https://github.com/vtlim/hv1

Free energy perturbation calculations for Hv1 protein

Last synced: 18 Nov 2024

https://github.com/vtlim/mismatch

Web app to find mismatched base pairs between hybridized DNA sequences.

css dna dna-sequences flask heroku html javascript materializecss mismatch nucleobase python rna

Last synced: 06 Dec 2024

https://github.com/vtlim/off_psi4

Quanformer is a Python-based pipeline for generating conformers, preparing quantum mechanical (QM) calculations, and processing QM results for a set of molecules and their conformers. *** This repo has a new location here:

Last synced: 06 Dec 2024

https://github.com/vtlim/vtlim

Last synced: 18 Nov 2024

https://github.com/vtlim/tech-docs

Last synced: 15 Oct 2024

https://github.com/vtlim/letterlift

Bootstrap website for LetterLift, as a GitHub project page.

Last synced: 06 Dec 2024