ytachigo

flow-based-model

Flow-based deep generative model for molecular conformations.

KernelPCA-tutorial

Basic implementation of kernel principal component analysis (PCA). In this case, kernel PCA was performed on the datasets of dihedral angles of biomolecules.

md-alanine-dipeptide

Data set of molecular dynamics (MD) simulations of an alanine dipeptide.

academicpages.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

bioanaly

Tools for Molecular Dynamics (MD) trajectory analysis. These tools enable us to analyse data sets from AmberTools16 in more detail.

comset

Simple scripts to set up something for computational approaches, such as MD simulations, MC calculations, and machine learning techniques.

dnn

Deep neural network frameworks for ~. Under construction :construction:

GPR-tutorial

Basic implementation of gaussian process regression (GPR). In this case, we predict the free energy landscape as a function of dihedral angles of biomolecules.

make-mdmovie

Make a MD movie.

note

My notebook to remember what I have learned about coding and scientific knowledge.

pymbar

Cloned repository of pymbar. It provides MBAR (multistate Bennett acceptance ratio) analyses for uncorrelated data sets.

Resampling-tutorial

Basic implementation of resampling methods.

tex-template

LaTeX template in Japanese.

vpython

Animations related to physics (e.g. classical mechanics and statical mechanics) by VPython.

wordcloud

Make a wordcloud from PDF files.

ytachigo.github.io