biomolecular-simulation

OpenBioSim/biosimspace

An interoperable Python framework for biomolecular simulation.

michellab/BioSimSpace

Code and resources for the EPSRC BioSimSpace project.

TinkerTools/tinker9

Tinker9: Next Generation of Tinker with GPU Support

OpenBioSim/sire

Sire Molecular Simulations Framework

delemottelab/demystifying

sarisabban/Pose

A bare metal Python library for building and manipulating protein molecular structures

evanseitz/cryoEM_synthetic_generation

Simulation of cryo-EM ensemble data from atomic models of molecules exhibiting continuous motions

floWneffetS/tutorial_dcTMD

Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.

sarisabban/MiraMar

De novo cyclic protein polypeptide design using reinforcement learning.

WagAd22/ABC-Laboratory

ABC-Laboratory is a prototypical simulation software calculating the fluorescence or absorption of different 'biomolecules'. It uses the Godot Game Engive (v.3) and is the result of my Bachelor Hands-on / internship.

achattaraj/Ksp_phase_separation

Tools for data generation and data analysis for the eLife research article - "The solubility product extends the buffering concept to heterotypic biomolecular condensates"

floWneffetS/dcTMD_scripts_v1.0

Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.

pomeslab/SharedCode

A collection of scripts and software to assist with biomolecular simulation in our laboratory

mazenahmad/RPCA

Relative Principle Components Analysis (RPCA)