lbluque Goto Github PK

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling

cs267_project_final

Final Project CS 267

dxchange

data exchange module integrated with tomopy

fglib

factor graph library

fmm

Fast Multipole Method in Python

its-a-chip

lbluque.github.io

A little curated window about myself

matcalc

A python library for calculating materials properties from the PES

matgl

Graph deep learning library for materials

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.

pymatlammps

Barebones interface between pymatgen and PyLammps API

ring-removal-jtblair

code for doing tomographic reconstructions and image filtering

seaplusplus

SEA++ programming assignment for EC327 at Boston University

smol

Statistical Mechanics on Lattices

sparse-lm

Sparse Linear Regression Models

tomopy

Tomographic Reconstruction in Python

tomopy-bl832

Custom version of tomopy for beamline 8.3.2 at ALS

xi-cam

An extensible platform for synchrotron data reduction, visualization, and management.