Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Python code accompanying the course "A deep understanding of deep learning (with Python intro)"

Perturbation based Allosteric Pathway Finder

Python library to run structure based model (SBM) simulations using the OpenMM toolkit

Calculation of interatomic interactions in molecular structures

Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.

A python implementation of the Statistical Coupling Analysis (SCA)

A modern, open library for the analysis of molecular dynamics trajectories

This repository contains the pipeline for running the frustratometer software

Python 3 IDE

Set of utility scripts to manipulate PDB files

Continually updated Data Science Python Notebooks: Spark, Hadoop MapReduce, HDFS, AWS, Kaggle, scikit-learn, matplotlib, pandas, NumPy, SciPy, and various command lines.

Coarse-grained Normal Mode Analysis software

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

Repository for Programming Assignment 2 for R Programming on Coursera

Github for files currently published in the IMGT/HLA FTP Directory hosted at the European Bioinformatics Institute

Course materials for the Data Science Specialization: https://www.coursera.org/specialization/jhudatascience/1

Python code for Machine Learning course from Coursera

A script to measure and limit CPU time and memory consumption of black-box processes in Linux