Scientific American

Mathematicians still don’t know the fastest way to multiply numbers

This requires an algorithm: students are taught to stack one number atop another and multiply each digit of the bottom number ...
GitHub

Calculate Root-mean-square deviation (RMSD) of Two Molecules Using Rotation

The root mean Square Deviation (RMSD) is the most common metric for measuring structural similarity between two structures. It is typically used in molecular biology, chemistry, and computational ...
GitHub

diffpy.srreal

Calculators for PDF, bond valence sum, and other quantities based on atom pair interaction. The diffpy.srreal package provides calculators for atomic pair distribution function (PDF), bond valence ...
The Hollywood Reporter

‘The Python Hunt’ Review: One Invasive Species Pursues Another in a Quirky Doc About Snake-Chasing Florida Tourists

Xander Robin's SXSW-premiering documentary is like a real-life version of Peacock's 'Killing It,' which makes more sense if you've seen Peacock's 'Killing It.' By Daniel Fienberg Chief Television ...
C&EN

Development, Evaluation, and Application of Machine Learning Models for Accurate Prediction of Root Uptake of Per- and Polyfluoroalkyl Substances

Machine learning (ML) models were developed for understanding the root uptake of per- and polyfluoroalkyl substances (PFASs) under complex PFAS-crop-soil interactions. Three hundred root concentration ...
InfoWorld

Review: Snowflake aces Python machine learning

Snowpark for Python gives data scientists a nice way to do DataFrame-style programming against the Snowflake data warehouse, including the ability to set up full-blown machine learning pipelines to ...
Frontiers

iCn3D: From Web-Based 3D Viewer to Structural Analysis Tool in Batch Mode

With the release of more and more AlphaFold (Jumper et al., 2021) or RoseTTAFold (Baek et al., 2021) predicted structures and experimentally determined structures, it is important to be able to do ...