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Python library for analysis of time series data including dimensionality reduction, clustering, and Markov model estimation
Parameterize chemical systems for Desmond and Anton.
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
PyMOL plugin to import Alphafold2 models hosted by EMBL, based on fetch-functionality
AlphaFold Meets Flow Matching for Generating Protein Ensembles
Calculation of interatomic interactions in molecular structures
a python based CLI tool to rapidly identify potential phosphorylation codes for arrestin recruitment
Program to incorporate internal water molecules to GPCR models
PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
Deezer source separation library including pretrained models.
Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
Tool for fast and lightweight vizualization of metadynamic results
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
🔼 Alternative library to manage dynamic routes in Next.js
🚂 Python API for Emma's Markov Model Algorithms 🚂
Workshop for NLP introduction with Spanish jokes
Introduction to MongoDB and tutorial to implement in Python using PyMongo
(outdated) fork of https://gitlab.com/gromacs/gromacs
Demo desktop apps built with Python & Qt. With examples for PyQt6, PySide6, PyQt5 & PySide2
📷 Instagram Bot - Tool for automated Instagram interactions
Access to Biological Web Services from Python.
Toolkit for free-energy calculation setup/analysis and biomolecular structure handling