git-tips | Bob's command-line cheatsheet
Billinge Group Github Links for maintenance purposes:
Next targets:
- diffpy.srfit | fork cf-recipe (need to finish cookiecut folder structure, tests refactor needed)
- diffpy.srreal | fork | cf-recipe (need to fix C++ bug)
Done:
- diffpy.nmf_mapping | fork |
- dffipy.labpdfproc | fork | cf | cf-fork
- diffpy.srmise | fork | cf | cf-fork
- diffpy.fourigui | fork cf | cf-fork
- diffpy.snmf | fork | cf | cf-fork
- diffpy.utils | fork | cf | cf-fork
- diffpy.structure | fork | cf | cf-fork
- bg-mpl-stylesheets | fork | cf | cf-fork
- diffpy.pdfmorph | fork | cf | cf-fork
- diffpy.pdfgui | fork | cf | cf-fork
- diffpy.pdffit2 | fork | cf | cf-fork
Other packages
Package I maintain:
During my spare time, I collaborate with Dr. Anton Oliynyk from CUNY Hunter College. I generate geometric/compositional features and build user-interactive research tools for filtering, preprocessing, and merging crystal data.
| # | Project | Description | Publication Link |
|---|---|---|---|
| 1 | CIF Bond Analyzer (CBA) | Computes the minimum atomic bonding distances from sites, generating histograms and pair counts. | Journal of Alloys and Compounds |
| 2 | Structure Analyzer/Featurizer (SAF) | Generates geometric features of interatomic distances, atomic environment information, and coordination numbers. | TBA (Summer 2024) |
| 3 | Composition Analyzer/Featurizer (CAF) | Generates chemical compositional features and provides tools for filtering, sorting, and merging data. | TBA (Summer 2024) |
| 4 | CIF Cleaner | Formats .cif files and sorts them based on tags, supercell size, and minimum distance. | N/S |
| 5 | cifkit | Python package for .cif high-throughput analysis (NEW) |  |
I document my learning and share my personal essays here: https://bobleesj.github.io/blog
I am currently enrolled in the M.S. Materials Science and Engineering program with a concentration in Materials Theory and Simulations at Columbia University, advised by Dr. Simon Billinge.
Prior to Columbia, I earned a B.E. in Chemical Engineering with minors in Computer Science and Chemistry from The Cooper Union. There, I conducted three semesters of supervised research on Monte Carlo geometry optimization and open-source development, advised by Dr. Robert Topper.
I completed graduate-level coursework in Deep Learning (ECE 472) and Natural Language Processing (ECE 467). My other relevant graduate coursework includes Crystallography, Phonons, Electrons, Condensed Matter Physics, Thermodynamics, Numerical Analysis, Polymers, and other standard MSE courses.
Features implemented in CIF Bond Analyzer!
Last update: Sep 3, 2024