https://github.com/octadist/octadist
A tool for calculating distortion parameters in coordination complexes.
chemistry
computational-chemistry
coordination-chemistry
crystallography
distortion
hacktoberfest
hacktoberfest2022
inorganic-chemistry
octahedral-distortion
octahedral-distortion-analysis
octahedral-distortion-parameters
octahedron
python
python3
spin-crossover
tkinter-gui
Added: about 1 year ago - Last Synced: 11 months ago
- Created: January 01, 2019
https://github.com/seatonullberg/velvet
[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
atomistic-simulation-engine
chemistry
computational-chemistry
materials-science
molecular-dynamics
physics
simulation
Added: over 1 year ago - Last Synced: 11 months ago
- Created: July 18, 2020
- Relevant topics? true
- External users? true
- Open source license? true
- Active? true
- Fork? false
- Main Language: Rust
- Commits: 244
- Committers: 1
- Issues: 6
- Pull Requests: 9
- Owner: seatonullberg
- Stars: 10
- Forks: 2
- Packages: 5
- Downloads: 12,714
https://github.com/qubekit/qubekit
Quantum Mechanical Bespoke Force Field Derivation Toolkit
bioinformatics
computational-chemistry
quantum-chemistry
Added: over 1 year ago - Last Synced: 11 months ago
- Created: April 10, 2019
