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Chromium running inside your terminal

Rust 14,798 288 Updated Jul 1, 2024
Python 8 3 Updated Nov 19, 2021
Python 6 2 Updated Jul 24, 2023

User friendly and accurate binder design pipeline

Python 361 65 Updated Dec 16, 2024

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some t…

TeX 110 19 Updated Dec 29, 2018
Python 1 1 Updated Aug 1, 2024

Zotero plugin to automatically move attachments and link them

JavaScript 557 7 Updated Dec 20, 2024

Minimal AlphaFold

Python 54 2 Updated Aug 24, 2024

Notebook Personal Wiki

Tcl 20 3 Updated Feb 27, 2022

Python interactive dashboards for learning data science

Jupyter Notebook 1,132 220 Updated Sep 30, 2024

A Python package to interactively compute, analyze and visualize protein allosteric communication (residue interaction) networks and delta-networks.

Jupyter Notebook 1 Updated May 23, 2024

Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations

Python 10 8 Updated Dec 20, 2024

Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.

Python 14 Updated Jul 17, 2024

Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes

Python 72 11 Updated Dec 16, 2024

Neural network potentials based on graph neural networks and equivariant transformers

Python 1 Updated Dec 13, 2024

📝 Pytest plugin for testing notebooks

Python 191 18 Updated Dec 23, 2024

A Progressive Web App for local file sharing

JavaScript 18,549 1,690 Updated Aug 31, 2024

Consensus sequences for each Pango lineage

Python 20 2 Updated Sep 12, 2024

Plot spike differences among SARS-CoV-2 Pango clades

Jupyter Notebook 2 1 Updated Feb 11, 2024

A tiling window manager for macOS based on binary space partitioning

C 24,401 648 Updated Dec 19, 2024

Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)

R 6 1 Updated Jun 5, 2024
Python 253 51 Updated Jun 12, 2024

Programmi pubblicati da MC microcomputer

Visual Basic 6.0 7 Updated Aug 9, 2024
Jupyter Notebook 2 Updated Nov 29, 2023

Defense Against the Dark Arts

Jupyter Notebook 77 1 Updated Jan 16, 2024

This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3la…

Jupyter Notebook 55 10 Updated Dec 17, 2024

Prediction of protein melting temperatures directly from sequences

Python 4 Updated Apr 16, 2024

Stand Alone version of ConSurf with detailed tutorial - (installation + database + usage)

Python 13 2 Updated Feb 5, 2023

Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tauto…

Python 47 12 Updated Apr 30, 2024
Python 1 Updated Mar 19, 2024
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