Topic: "geometry-optimization"
JuliaTopOpt/TopOpt.jl
A package for binary and continuous, single and multi-material, truss and continuum, 2D and 3D topology optimization on unstructured meshes using automatic differentiation in Julia.
Language: Julia - Size: 33 MB - Last synced at: 7 days ago - Pushed at: 26 days ago - Stars: 190 - Forks: 32
zadorlab/sella
A Python software package for saddle point optimization and minimization of atomic systems.
Language: Python - Size: 451 KB - Last synced at: 5 days ago - Pushed at: 7 months ago - Stars: 96 - Forks: 24
RMeli/irc
Transfrormation between Cartesian coordinates and redundant internal coordinates
Language: C++ - Size: 2.13 MB - Last synced at: 17 days ago - Pushed at: almost 3 years ago - Stars: 22 - Forks: 8
theochem/gopt
Python library for optimizing molecular structures and determining chemical reaction pathways.
Language: Python - Size: 737 KB - Last synced at: about 1 month ago - Pushed at: 12 months ago - Stars: 16 - Forks: 3
moritzgubler/vc-sqnm
Implementation of the vc-sqnm and sqnm optimization algorithms in C++
Language: Fortran - Size: 226 KB - Last synced at: 27 days ago - Pushed at: 27 days ago - Stars: 5 - Forks: 0
viktor-platform/sample-molecule-visualization
This sample app shows off some basic chemical operations that are possible in VIKTOR
Language: Python - Size: 7.24 MB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 2 - Forks: 0
linjing-lab/orca-intro
The introduction and molecules with ORCA software.
Size: 29.3 KB - Last synced at: 11 months ago - Pushed at: 12 months ago - Stars: 1 - Forks: 0
yanqingan/JointTG Fork of fdp0525/JointTG
The implementation of "Joint Texture and Geometry Optimization for RGB-D Reconstruction (CVPR2020)"
Size: 99.2 MB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 1
tjz21/Castep_Tools
Scripts for processing CASTEP output files.
Language: Python - Size: 2.29 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
m-rauen/Coordinates_Analyzer
Python web app that compare, calculate and plot the mathematical differences between 2 sets of atomic coordinates
Language: Python - Size: 19.6 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
teomotun/Azobenzene-Cis-Trans-Transformation
Azobenzene-Cis-Trans-Transformation Molecular Simulation using LAMMPS with N.C State's Hyper Computing Cluster
Language: DIGITAL Command Language - Size: 6.44 MB - Last synced at: about 2 years ago - Pushed at: about 5 years ago - Stars: 0 - Forks: 0
