ryankzhu

PhD student in computational chemistry, University of Edinburgh.

University of EdinburghEdinburgh

Pinned Repositories

alchemlyb
the simple alchemistry library
Language:Python195 15 20950
deeptime
Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
Language:Python750 19 7482
ATCP_23_24
Language:Jupyter Notebook1 3 70
gudhi-devel
The GUDHI library is a generic open source C++ library, with a Python interface, for Topological Data Analysis (TDA) and Higher Dimensional Geometry Understanding.
Language:C++255 11 45565
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++1.5k 81 2.8k521
msm_sensitivity_analysis
Analysis of the sensitivity of MSMs to their hyperparameters
Language:Jupyter Notebook1 3 00
BioSimSpaceTutorials
Language:Jupyter Notebook00
DeepDTA
Language:Python00
DGraphDTA
a novel DTA predition method using graph neural network
Language:Python00
github-slideshow
A robot powered training repository :robot:
Language:HTML00

ryankzhu's Repositories

ryankzhu/BioSimSpaceTutorials
Language:Jupyter Notebook00
ryankzhu/DeepDTA
Language:Python00
ryankzhu/DGraphDTA
a novel DTA predition method using graph neural network
Language:Python00
ryankzhu/github-slideshow
A robot powered training repository :robot:
Language:HTML00