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    47 repositories

    • balsa

      Public
      Reference implementation for the Balsa molecular line notation.
      Rust
      •
      MIT License
      •2•15•1•0•Updated Apr 18, 2024Apr 18, 2024

    • ctcore

      Public
      Precision tools for processing molfile, SDfile, and other CTfile formats.
      Rust
      •
      MIT License
      •0•2•7•0•Updated Feb 25, 2023Feb 25, 2023

    • balsadoc

      Public
      Specification of Balsa, a chemical line notation based on SMILES.
      TeX
      •
      MIT License
      •0•8•0•0•Updated Feb 5, 2023Feb 5, 2023

    • ciclo

      Public
      Exhaustive cycle enumeration in Rust
      Rust
      •
      MIT License
      •0•2•0•0•Updated Jan 26, 2023Jan 26, 2023

    • es6-graph

      Public
      A tiny graph library in ES6. Also benchmarks for pseudoclassical/class-free object creation.
      JavaScript
      •2•0•0•0•Updated Dec 21, 2022Dec 21, 2022

    • trey

      Public
      V3000 CTfile tools
      Rust
      •
      MIT License
      •0•2•1•0•Updated Sep 26, 2022Sep 26, 2022

    • inchi-grammar

      Public
      A formal grammar for the IUPAC InChI identifier.
      Ruby
      •
      Other
      •1•4•0•0•Updated Sep 22, 2022Sep 22, 2022

    • inchi

      Public
      InChI source as received from IUPAC
      C
      •
      Other
      •7•8•0•0•Updated Mar 19, 2021Mar 19, 2021

    • gamma

      Public
      A graph library for Rust.
      Rust
      •
      Other
      •6•121•0•0•Updated Jan 25, 2021Jan 25, 2021

    • smiles-peg

      Public
      A tiny package that parses SMILES strings to an abstract syntax tree.
      JavaScript
      •
      MIT License
      •0•0•0•0•Updated Feb 21, 2019Feb 21, 2019

    • shoreline

      Public
      A Google Closure Project Template
      JavaScript
      •
      MIT License
      •0•7•0•1•Updated Jun 21, 2018Jun 21, 2018

    • big.js

      Public
      A small, fast JavaScript library for arbitrary-precision decimal arithmetic.
      JavaScript
      •
      MIT License
      •415•0•0•0•Updated Mar 1, 2017Mar 1, 2017

    • bloomfilter.js

      Public
      JavaScript bloom filter using FNV for fast hashing
      JavaScript
      •
      Other
      •80•0•0•0•Updated Mar 1, 2017Mar 1, 2017

    • mychem-code

      Public
      Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.
      C
      •
      GNU General Public License v2.0
      •15•0•0•0•Updated Feb 28, 2017Feb 28, 2017

    • inchi-js

      Public
      InChI for the Browser
      JavaScript
      •
      Other
      •5•15•2•0•Updated Feb 24, 2017Feb 24, 2017

    • metalsmith-collections

      Public
      A Metalsmith plugin that groups files together into collections, which it adds to the global metadata.
      JavaScript
      •66•0•0•0•Updated Jan 3, 2017Jan 3, 2017

    • datawarrior

      Public
      Data Warrior from http://openmolecules.org/datawarrior/
      Java
      •5•8•0•1•Updated Nov 7, 2016Nov 7, 2016

    • chemdoodle

      Public
      htmlwidgets for chemdoodle web components
      R
      •9•0•0•0•Updated Apr 25, 2016Apr 25, 2016

    • opsin

      Public
      Java
      •
      Artistic License 2.0
      •1•2•0•0•Updated Mar 9, 2016Mar 9, 2016

    • indigo

      Public
      Indigo: a cheminformatics toolkit. Bingo: RDBMS data cartridge for Oracle, MS SQL Server, and PostgreSQL
      C++
      •15•0•0•0•Updated Nov 1, 2015Nov 1, 2015

    • rd-parse

      Public
      Generic recursive-descent parser in Javascript
      JavaScript
      •12•1•0•0•Updated Aug 30, 2015Aug 30, 2015

    • closure-library

      Public
      Google Closure JavaScript Library
      JavaScript
      •
      Apache License 2.0
      •1•0•0•0•Updated Oct 19, 2013Oct 19, 2013

    • OpenSMILES

      Public
      The OpenSMILES specification
      CSS
      •
      Other
      •13•0•0•0•Updated Sep 6, 2013Sep 6, 2013

    • gocr-patched

      Public
      Copy of files found at http://sourceforge.net/projects/osra/files/gocr-patched/
      C
      •0•2•0•0•Updated Aug 7, 2013Aug 7, 2013

    • osra

      Public
      OSRA source from http://cactus.nci.nih.gov/osra/
      C++
      •
      GNU General Public License v2.0
      •10•29•0•0•Updated Aug 7, 2013Aug 7, 2013

    • closure-compiler

      Public
      Closure compiler binary
      Apache License 2.0
      •1•1•0•0•Updated Jul 4, 2013Jul 4, 2013

    • queuetest

      Public
      A Test of NSOperationQueue
      0•0•0•0•Updated Nov 28, 2012Nov 28, 2012

    • Lilly-Medchem-Rules

      Public
      Implementation of Lilly Medchem Rules - J Med Chem 2012
      C++
      •
      GNU General Public License v3.0
      •29•0•0•0•Updated Oct 31, 2012Oct 31, 2012

    • SVGKit

      Public
      A Cocoa framework for rendering SVG files as Core Animation layers
      Objective-C
      •
      MIT License
      •1.1k•0•0•0•Updated Jul 16, 2012Jul 16, 2012

    • iscroll

      Public
      Hardware accelerated scroll for mobile webkit
      JavaScript
      •
      MIT License
      •3.8k•0•0•0•Updated Aug 31, 2011Aug 31, 2011