A collection of Neural Network Models for chemistry
Molecular Orbital PACkage
SEMIEMP:Open source code for semiempirical qunatum chemistry calculations
ASCEC (Annealing Simulado Con Energía Cuántica) is a Python tool developed by the QFT research group designed to automatically sample molecular configurational PES and perform screening of topological features.
A PGR workshop hosted in 2026 by Andrew to make models, find minima and transition states
Mirror of pDynamo computational chemistry library
Supplementary material for DOI:10.1080/00268970701598089
Summon a ring of 48 tamed wolves with the Orbital Wolf Rod for Fabric Minecraft, complete with buffs, targeting, and cooldown control
To associate your repository with the semiempirical-methods topic, visit your repo's landing page and select "manage topics."