Tinker: Software Tools for Molecular Design
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Updated
Sep 6, 2024 - Fortran
Tinker: Software Tools for Molecular Design
Tinker9: Next Generation of Tinker with GPU Support
Code and resources for the EPSRC BioSimSpace project.
An interoperable Python framework for biomolecular simulation.
Sire Molecular Simulations Framework
Python scripts for the application of dissipation-corrected targeted molecular dynamics analysis.
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
A bare metal Python library for building and manipulating protein molecular structures
Simulation of cryo-EM ensemble data from atomic models of molecules exhibiting continuous motions
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.
Relative Principle Components Analysis (RPCA)
Tools for data generation and data analysis for the eLife research article - "The solubility product extends the buffering concept to heterotypic biomolecular condensates"
A collection of scripts and software to assist with biomolecular simulation in our laboratory
De novo cyclic protein polypeptide design using reinforcement learning.
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