Skip to content
Avatar

Highlights

  • Arctic Code Vault Contributor
  • Pro

Organizations

@MobleyLab

Pinned

  1. Compare optimized geometries and energies from various force fields with respect to a QM reference.

    Python 4 3

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

    Python 1

  3. quanformer: quantum mechanical analysis of molecular conformers

    Python 1 1

  4. Scripts for fitting GLIC receptor to cryo-EM densities

    Python 1

  5. Website of Victoria Lim

    HTML

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

    Python

320 contributions in the last year

Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Mon Wed Fri
Activity overview
Contributed to MobleyLab/benchmarkff, vtlim/permeability, vtlim/misc and 5 other repositories
Loading

Contribution activity

October 2020

12 contributions in private repositories Oct 7 – Oct 20

Seeing something unexpected? Take a look at the GitHub profile guide.

You can’t perform that action at this time.