GSoC Organizations
Clear all filters
Shortcuts
First-time organizations (20)
View all
Years
2023
2022
2021
2020
2019
2018
View all
Categories
Data
Development tools
End user applications
Infrastructure and cloud
Media
Operating systems
View all
Technologies
python (245)
javascript (204)
c (164)
c++ (159)
java (108)
android (50)
View all
Topics
web (81)
machine learning (55)
cloud (52)
graphics (39)
education (31)
data science (28)
View all
MDAnalysis
Visit Site
Analysis of molecular simulations data with Python
Category
Science and medicine
Years
2023
2022
2021
2020
Technologies
python
cython
c
c++
numpy
Topics
computational chemistry
cheminformatics
biophysics
molecular simulation
molecular dynamics
simulation
trajectory analysis
soft matter physics
materials
biochemistry
science
computational-chemistry
high-performance-computing
molecular-simulation
soft-matter-physics
Past Projects
2023
2022
2021
2020
Project 5: Implementation of parallel analysis in MDAnalysis
Egor Marin
The proposal introduces parallel backend based on `dask` for MDAnalysis package. Potentially, it will allow researchers to run analysis of the...
More Details
Code Submission
Add Calculations for Self-Diffusivity and Viscosity
Xu Hong Chen
MDAnalysis provides minimal support for calculating transport properties, measurable values which define the transfer of mass, heat, momentum, or...
More Details
Code Submission