mVenetos97
Machine learning research engineer in the materials informatics field
University of California, BerkeleyBerkeley, Ca
Pinned Repositories
mrsimulator
A fast solid-state NMR spectrum simulation and analysis library.
matten
Materials Tensor prediction using equivariant graph neural networks
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
DimeNet-dgl
A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).
mrsimulator
A toolbox for simulating NMR spectra.
mrsimulator-app
A plotly-dash user interface for mrsimulator.
nmrcryspy
A library for NMR crystallography refinements to solids
nmrmix
personal-website
My personal website
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
mVenetos97's Repositories
mVenetos97/nmrcryspy
A library for NMR crystallography refinements to solids
mVenetos97/nmrmix
mVenetos97/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
mVenetos97/DimeNet-dgl
A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).
mVenetos97/mrsimulator
A toolbox for simulating NMR spectra.
mVenetos97/mrsimulator-app
A plotly-dash user interface for mrsimulator.
mVenetos97/personal-website
My personal website
mVenetos97/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
mVenetos97/starter-hugo-academic
mVenetos97/voice-activated-assistant