mspillman
I'm interested in crystal structure determination from powder diffraction data, machine learning and neural networks
Pinned Repositories
blog
New blog migrated from fastpages. https://mspillman.github.io/blog
blog_old
cdash
Process DASH simulated annealing jobs on the EC2 service
fastpages
An easy to use blogging platform, with enhanced support for Jupyter Notebooks.
gallop
Accelerated molecular crystal structure determination from powder diffraction data
hofcalc
Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app
impurities
Detect impurities in PXRD data using neural networks
mspillman.github.io
powcodgen
GPU-accelerated generation of diffraction patterns from the PowCod database
zmatrix-to-inp
Easily convert DASH Z-matrices into TOPAS rigid bodies
mspillman's Repositories
mspillman/gallop
Accelerated molecular crystal structure determination from powder diffraction data
mspillman/cdash
Process DASH simulated annealing jobs on the EC2 service
mspillman/powcodgen
GPU-accelerated generation of diffraction patterns from the PowCod database
mspillman/zmatrix-to-inp
Easily convert DASH Z-matrices into TOPAS rigid bodies
mspillman/blog
New blog migrated from fastpages. https://mspillman.github.io/blog
mspillman/blog_old
mspillman/fastpages
An easy to use blogging platform, with enhanced support for Jupyter Notebooks.
mspillman/hofcalc
Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app
mspillman/impurities
Detect impurities in PXRD data using neural networks
mspillman/mspillman.github.io
mspillman/StarCluster
StarCluster is an open source cluster-computing toolkit for Amazon's Elastic Compute Cloud (EC2).