Stars
Free, simple, fast interactive diagrams for any GitHub repository
Quick, visual, principled introduction to pytorch code through five colab notebooks.
A set of nonnumerical routines for computational chemistry
Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
sdonglab / molUP
Forked from BioSIM-Research-Group/molUPmolUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.
Automatically selects an active space for multireference methods
MoleView: A Fast and lightweight plug-in for 3D molecular visualization
A collection of GPT system prompts and various prompt injection/leaking knowledge.