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  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


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


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

Contribution activity

October 2020

12 contributions in private repositories Oct 7 – Oct 20

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