A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
-
Updated
May 23, 2024 - Python
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
Command Line Interactive Periodic Table of Elements in multiple languages
Molecular viewer [Work in progress]
High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
A community-driven platform where developers take on a 365-day coding challenge, promoting growth through daily contributions. Users can share projects, solutions, and resources in a collaborative environment.
056921 Sperimentazione e Analisi dei Dati, A.Y. 2022/23, @Politecnico_di_Milano
Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes
Add a description, image, and links to the atoms-in-molecules topic page so that developers can more easily learn about it.
To associate your repository with the atoms-in-molecules topic, visit your repo's landing page and select "manage topics."