Sina Mostafanejad's Projects
Atomic graph models for molecules and crystals in Julia
Unified graph building and featurizing for Weave.jl, AtomicGraphNets.jl, and (maybe soon) more!
Self-supervised neural nets to understand protein mutations
Repository for Git tutorial for MolSSI Software Fellows
JSON for Modern C++
Molecular Orbital PACkage
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Website for the Molecular Orbital PACkage (MOPAC)
An open-source library for reduced-density matrix-based analysis and computation
A dft plugin to Psi4 for testing new methods and algorithms
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Short lessons for data analysis using Python
QCArchive website (production on Azure)
Building a transformer architecture from scratch
A variational 2-RDM-driven CASSCF plugin to Psi4