GitHub topics: biomolecular-simulation
TinkerTools/tinker
Tinker: Software Tools for Molecular Design
Language: Fortran - Size: 118 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 140 - Forks: 69
OpenBioSim/sire
Sire Molecular Simulations Framework
Language: C++ - Size: 81 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 52 - Forks: 14
mazenahmad/RPCA
Relative Principle Components Analysis (RPCA)
Language: C - Size: 15.6 MB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 0 - Forks: 0
sarisabban/Pose
A bare metal Python library for building and manipulating protein molecular structures
Language: Python - Size: 1.32 MB - Last synced at: 21 days ago - Pushed at: 3 months ago - Stars: 16 - Forks: 3
michellab/BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
Language: Python - Size: 36.1 MB - Last synced at: 1 day ago - Pushed at: 6 months ago - Stars: 79 - Forks: 19
OpenBioSim/biosimspace
An interoperable Python framework for biomolecular simulation.
Language: Python - Size: 38.7 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 75 - Forks: 11
sarisabban/MiraMar
De novo cyclic protein polypeptide design using reinforcement learning.
Language: Python - Size: 2.26 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 2 - Forks: 0
floWneffetS/tutorial_dcTMD
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
Language: Python - Size: 1020 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 7 - Forks: 4
pomeslab/SharedCode
A collection of scripts and software to assist with biomolecular simulation in our laboratory
Language: Shell - Size: 130 KB - Last synced at: about 1 year ago - Pushed at: over 7 years ago - Stars: 1 - Forks: 0
TinkerTools/tinker9
Tinker9: Next Generation of Tinker with GPU Support
Language: C++ - Size: 38.4 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 47 - Forks: 25
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.
Language: GDScript - Size: 5.14 MB - Last synced at: 26 days ago - Pushed at: about 7 years ago - Stars: 2 - Forks: 0
delemottelab/demystifying
Language: Python - Size: 121 KB - Last synced at: about 2 years ago - Pushed at: almost 5 years ago - Stars: 16 - Forks: 4
evanseitz/cryoEM_synthetic_generation
Simulation of cryo-EM ensemble data from atomic models of molecules exhibiting continuous motions
Language: Python - Size: 1.03 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 9 - Forks: 2
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"
Language: Python - Size: 787 KB - Last synced at: almost 2 years ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 0
