Name: Andrew S. Rosen
Type: User
Company: University of California, Berkeley
Bio: Incoming Assistant Professor of Chemical & Biological Engineering at Princeton University. Leading the @Quantum-Accelerators.
Twitter: Andrew_S_Rosen
Location: Berkeley, CA
Blog: https://cbe.princeton.edu/people/andrew-rosen
Andrew S. Rosen's Projects
Andrew's GitHub profile
atomate2 is a library of computational materials science workflows
Crystal graph convolutional neural networks for predicting material properties.
Pythonic tool for running machine-learning/high performance/quantum-computing workflows in heterogenous environments.
Executor plugin interfacing Covalent with Slurm
A simple, robust and flexible just-in-time job management framework in Python.
Be a master builder of databases of material properties. Avoid the Kragle.
jobflow is a library for writing computational workflows.
MongoDB aggregation machine
Graph deep learning library for materials
MATLAB program for microkinetic modeling in catalysis
Python code to initialize adsorbates on MOFs
High-throughput DFT of MOFs using ASE/VASP
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
MoS2 Phase Diagrams to accompany J. Phys. Chem. C article
A Newtonian message passing network for deep learning of interatomic potentials and forces
Parsl - a Python parallel scripting library
Python script to plot periodic trends as a heat map over the periodic table of elements
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Defect analysis modules for pymatgen
The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
A Python software package for saddle point optimization and minimization of atomic systems.
Automatically query Vaxxmax for COVID-19 vaccines in your area