Homepage and blog by Rohit Goswami (HaoZeke)| Rohit Goswami
The increasing use of high-throughput computational chemistry demands rigorous methods for evaluating algorithm performance. We present a Bayesian hierarchical modeling paradigm (brms/Stan) for analyzing key performance metrics: function evaluations, computation time, and success/failure. This framework accounts for variability across different systems and functionals, providing reliable uncertainty estimates beyond subjective visual assessments or frequentist limitations. We applied this to ...| Materials Cloud Archive
Recently some of my older publications were accepted and naturally were archived on the Materials Archive. That being said, local copies are also nice to have. The best compression I know of is basically via the Lzma RZIP : 1lrzdir=gprd_sella_bench;\ 2 tar cvf $lrzdir.tar $lrzdir;\ 3 lrzip -Uvvp `nproc`\ 4 -S .lrz -L 9$lrzdir.tar;\ 5 rm -fv $lrzdir.tar;unset lrzdir Which should be decompressed with: 1lrunzip -o - gprd_sella_bench.tar.bzip2-lrz | tar xvf - Though I do hear good things about 7z...| Snippets on Rohit Goswami
Ruminations on cross-cloud library management Background I have a set of different devices across which I need to sync my library (described in an earlier post). Ideally this should be a lazy synchronization mechanism and be as general as possible. Constraints calibre should never be modifying the files while they are being synced, not only because it creates and removes a lot of temporary files and folders which will cause churn, but also because it actually locks files during modification a...| rgoswami.me
Rclone Usage| rclone.org
