Pinned Repositories
6130_Electrochem_project
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
ase-espresso
ase interface for Quantum Espresso
ben_espresso
bencomer.github.io
Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
ComerUnraveling2022
hermes
Data management functionality for group data. Passes data between database, supercomputer, etc.
bencomer's Repositories
bencomer/ComerUnraveling2022
bencomer/6130_Electrochem_project
bencomer/amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
bencomer/ase-espresso
ase interface for Quantum Espresso
bencomer/ben_espresso
bencomer/bencomer.github.io
bencomer/Bootcamp2019
Central repository for 2019 Summer Data Science Bootcamp instructional materials.
bencomer/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
bencomer/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
bencomer/hermes
Data management functionality for group data. Passes data between database, supercomputer, etc.
bencomer/lobster_analysis
Storage for my personal tools for analyzing lobster calculations
bencomer/MPInterfaces
Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).
bencomer/planets
bencomer/RYODFT
Roll-your-own Density Functional Theory
bencomer/single_atom_mesh_convergence
bencomer/SPARC
Simulation Package for Ab-initio Real-space Calculations
bencomer/sparc-dft-api
bencomer/test_set_generation