GitHub topics: energy-minimization

Repositories

c-vandenberg/gromacs-tutorials

Introductory GROMACS project that sets up the topology, energy minimisation, NVT and NPT equilibration and molecular dynamics simulation of the small protein 'Coagulation Factor Xa' in ionised water.

Language: Jupyter Notebook - Size: 79.3 MB - Last synced at: 2 months ago - Pushed at: 11 months ago - Stars: 0 - Forks: 0

MolSSI/mmic_optim

Strategy MMIC for energy optimization

Language: Python - Size: 151 KB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

MolSSI/mmic_optim_gmx

Tactic MMIC for energy optimization using gmx

Language: Python - Size: 290 KB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 2

Chrisding/seal

Code for Simultaneous Edge Alignment and Learning (SEAL)

Language: C++ - Size: 7.43 MB - Last synced at: over 1 year ago - Pushed at: almost 7 years ago - Stars: 124 - Forks: 21

aretasg/amber-emm

Python utility script to perform energy minimisation on a small molecule PDB file using AmberTools

Language: Python - Size: 2.93 KB - Last synced at: almost 2 years ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 0

fayolle/tv_ap_onepass_demo

One pass weighted p-Dirichlet energy minimization

Language: MATLAB - Size: 699 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

rinikerlab/PyGromosTools

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

Language: Python - Size: 218 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 15 - Forks: 13

Sri-Sai-Charan/Graph-Cut-Segmentation

As applied in the field of computer vision, graph cut optimization can be employed to efficiently solve a wide variety of low-level computer vision problems, such as image smoothing, the stereo correspondence problem, image segmentation, object co-segmentation, cv problems that can be formulated in terms of energy minimization.

Language: Jupyter Notebook - Size: 587 KB - Last synced at: over 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0