Bruno Di Geronimo's starred repositories

TreeViewer

Cross-platform software to draw phylogenetic trees

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EvoBind

In silico directed evolution of peptide binders with AlphaFold

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PoreAnalyser

PoreAnalyser is package written by @DSeiferth that expands HOLE results to consider asymmetry and estimate conductance

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handson-ml3

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

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PeSTo-Carbs

Geometric Deep Learning for Prediction of Protein-Carbohydrate Binding Interfaces

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pycontact

Analysis of non-covalent interactions in MD trajectories

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papers_for_protein_design_using_DL

List of papers about Proteins Design using Deep Learning

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Awesome-Diffusion-Models

A collection of resources and papers on Diffusion Models

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ring-pymol

This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua

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rifdock

Rifdock Library for Conformational Search

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AlphaFlow

AlphaFlow Reinforcement Learning

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PyMEMENTO

PyMEMENTO

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PythonTUBS

Python introduction for life scientists

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pdbtools

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

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EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling

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sanm-path-gen

Constructing path-CV for advanced protein free energy simulations

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MolecularNodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

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getcontacts

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

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GetContacts_analysis

Analysis tool for GetContact Frequencies

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ConSurf

Evolutionary conservation estimation of residues or nucleotides

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gatech_machine_learning

Machine Learning workshops developed by Christopher Blanton, Ph.D. for Georgia Institute of Technology Partnership for an Advanced Computing Enviornment

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masterclass-22-09

Repository of the data for the PLUMED Masterclass 22.9

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metadynminer3d

Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)

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exprorer_msmd

MSMD (mixed-solvent molecular dynamics) engine and analysis tools

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