Show HN: I've Published 28B Molecule Embeddings on AWS Open Data https://ift.tt/tmlxj27

Show HN: I've Published 28B Molecule Embeddings on AWS Open Data I’ve finally finished a project that involved gathering 7 billion small molecules, each represented in SMILES notation and having fewer than 50 “heavy” non-hydrogen atoms. Those molecules were “fingerprinted”, producing 28 billion structural embeddings, using MACCS, PubChem, ECFP4, and FCFP4 techniques. These embeddings were indexed using Unum’s open-source tool USearch, to accelerate molecule search. This extensive dataset is now made available globally for free, thanks to AWS Open Data. You can find the complete data sheet and scripts for data visualization on GitHub. https://ift.tt/bVX2e53 November 21, 2023 at 11:30PM

Komentar

Posting Komentar

Postingan populer dari blog ini

Show HN: Interactive exercises for GNU grep, sed and awk https://ift.tt/OxeFwah

Show HN: Interactive exercises for GNU grep, sed and awk Hello! For the past few months, I've been using a Python framework called Textual to create TUI apps for interactive exercises. Released the app for GNU awk earlier today, so thought I'd create a post here. If you already know how to manage Python packages, you can use the following command to get all the three apps: pip install grepexercises sedexercises awkexercises `pipx` should also work, but I haven't tested it. The GitHub repo has the source code as well as more detailed installation instructions. You can use alternative CLI tools to solve these exercises as well. For example, Perl instead of GNU awk or ripgrep instead of GNU grep and so on. Hope you find these TUI apps useful. I'd highly appreciate your feedback. Happy learning :) https://ift.tt/Hp9kFEi August 17, 2023 at 05:13PM
Baca selengkapnya

Show HN: My Book Bulletproof TLS and PKI (Second Edition) Is Out https://ift.tt/5PZ9mxF

Show HN: My Book Bulletproof TLS and PKI (Second Edition) Is Out Hello HN. I am excited to share with you my new book, Bulletproof TLS and PKI. I've worked in this space since the very early days (think SSLv2), always frustrated with the fact that the field is vast but the documentation poor. That first led me to create SSL Labs (which ended up being very popular) and then the first edition of my book (in 2014), where I aimed to cover everything a curious person needed to know about SSL/TLS and PKI. Most importantly, it's a very practical book that you can use to just learn what you need at that moment. The second edition (just out) adds coverage of TLS 1.3. I publish two chapters as a separate (and free) OpenSSL Cookbook. There's another free sample chapter as well. The best part of Bulletproof TLS and PKI is that it's a living book. There's nothing worse than obsolete documentation! Because none of the traditional publishers were interested in that sort of thing,
Baca selengkapnya