An Introduction to DataWarrior
Building a simple data set to learn the core principles behind a powerful application. (Source: Depth-First)
Source: Depth-First - March 23, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Python Extensions in Pure Rust with Rust-CPython
Mixing Python and Rust with a low-level API. (Source: Depth-First)
Source: Depth-First - March 9, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Big Reaction Data
Ways to bring a comprehensive, open collection of reaction data closer to reality. (Source: Depth-First)
Source: Depth-First - February 23, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
V3000 Molfile Enhanced Stereochemistry Representation
A practical approach to encoding stereochemical mixtures and unknowns. (Source: Depth-First)
Source: Depth-First - February 9, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Graphs from Scratch in Python
Boiling the complexity of graphs down to a few methods, then implementing them. (Source: Depth-First)
Source: Depth-First - January 26, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Penny Codes
Unravelling the mystery of the lost molecular fingerprint. (Source: Depth-First)
Source: Depth-First - January 12, 2022 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Stereochemistry and the V2000 Molfile Format
Making sense of some confusing but core features in a de facto standard. (Source: Depth-First)
Source: Depth-First - December 29, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
A Beginner's Guide to Parsing in Rust
Using a flexible system for writing custom parsers in Rust and other languages. (Source: Depth-First)
Source: Depth-First - December 16, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
MDL Valence-Mageddon
Understanding what happened to the molfile format in 2014, and what it means today. (Source: Depth-First)
Source: Depth-First - December 1, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
Ten Reasons to Adopt the V3000 Molfile Format
Balancing benefits and costs of the oldest new file format in cheminformatics. (Source: Depth-First)
Source: Depth-First - November 17, 2021 Category: Chemistry Authors: Richard L. Apodaca Source Type: blogs
