Gianfranco Abrusci's repositories

AdventOfCode2020

Trying to keep up-to-date witht the Advent Of Code 2020, using (learning) Julia.

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clustering

VMD plugin to calculate and visualize clusters of conformations for a trajectory

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GAMMCOR

gammcor code

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getcontacts

Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation

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getcontacts.github.io

Getcontacts overview page

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gym

A toolkit for developing and comparing reinforcement learning algorithms.

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mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

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ProDy

A Python Package for Protein Dynamics Analysis

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pyinteraph2

Internal development repository for PyInteraph

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qmckl

Quantum Monte Carlo Kernel Library

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recipe-2021-coderef

guacamole recipe for coderefinery course

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sktime

A unified framework for machine learning with time series

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unrolr

Unrolr: structural analysis of protein conformations using Stochastic Proximity Embedding

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