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Projects in Awesome Lists tagged with atoms-in-molecules
A curated list of projects in awesome lists tagged with atoms-in-molecules .
https://github.com/theochem/chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
atoms-in-molecules conceptual-dft density-matrices kinetic-energy-density molecular-orbital-theory population-analysis
Last synced: 17 Nov 2024
https://github.com/arpitnarechania/d3-molecule
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
atoms-in-molecules chemical-bonding chemoinformatics d3 interactive-visualizations javascript molecules open-source
Last synced: 11 Oct 2024
https://github.com/theochem/cugbasis
High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
atoms-in-molecules computational-chemistry conceptual-dft cuda electron-density gpu python qtaim quantum quantum-chemistry theoretical-chemistry
Last synced: 17 Nov 2024