PyGBe code for Poisson-Boltzmann equations

Close-up of the surface mesh on a lysozyme molecule, showing the surface charge obtained with PyGBe.

The PyGBe code was released in July 2012 to coincide with the first research presentations at conferences. Christopher Cooper gave a talk at the World Congress in Computational Mechanics, WCCM on his work, and Prof. Barba featured PyGBe on her invited talk at a mini symposium of the Society of Mathematical Biology Annual Meeting.

[UPDATE: The code repository is now on GitHub.]

References

• "Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods", Christopher D. Cooper, L. A. Barba. (25 January 2013). 10.6084/m9.figshare.154331 // Code repository
  

  Technical Report published on figshare under CC-BY-NC-SA.

• "Efficient boundary element method on Python using GPUs", Christopher D. Cooper, L. A. Barba. World Congress on Computational Mechanics (WCCM) (8–13 July 2012), Sao Paulo, Brazil.
• Invited: "Protein electrostatics on a desktop using GPU hardware and multipole algorithms", L. A. Barba. The Society for Mathematical Biology Annual Meeting and Conference (25–28 July 2012), Knoxville, TN.
  

  minisymposium on “Electrostatics: numerical algorithms and biological applications”, organized by Yongcheng Zhou (Colorado State University) and Weihua Geng (University of Alabama)