Project Group: gov.nih.ncats

Molwitch Renderer

gov.nih.ncats : molwitch-renderer

Chemical Renderer that uses Molwitch

Last Version: 1.0.10

Release Date: Jan 14, 2022

ncats-molwitch

gov.nih.ncats : molwitch

A Bridge interface to abstract the underlying cheminformatics library is used.

Last Version: 0.6.2

Release Date: Jan 12, 2022

smsd-core

gov.nih.ncats : smsd-core

NCATS Fork of Small Molecule Subgraph Detector (SMSD) - A Maximum Common Subgraph (MCS) and substructure generation library for chemoinformatics

Last Version: 2.2.3

Release Date: Jan 12, 2022

smsd-exec

gov.nih.ncats : smsd-exec

NCATS Fork of Small Molecule Subgraph Detector (SMSD) - A Maximum Common Subgraph (MCS) and substructure generation library for chemoinformatics

Last Version: 2.2.3

Release Date: Jan 12, 2022

molwitch-apitests

gov.nih.ncats : molwitch-apitests

Test package to make sure that the MolWitch implementations meet interface specification

Last Version: 0.6.2

Release Date: Jan 12, 2022

smsd

gov.nih.ncats : smsd

NCATS Fork of Small Molecule Subgraph Detector (SMSD) - A Maximum Common Subgraph (MCS) and substructure generation library for chemoinformatics

Last Version: 2.2.3

Release Date: Jan 12, 2022

molwitch-cdk

gov.nih.ncats : molwitch-cdk

MolWitch implementation that uses CDK as the underlying cheminformatics framework.

Last Version: 1.0.9

Release Date: Jan 12, 2022

structure-indexer

gov.nih.ncats : structure-indexer

The indexing architecture is based on an inverted indexing technique developed within NIH/NCATS.

Last Version: 0.0.13

Release Date: Jan 12, 2022

ncats-common

gov.nih.ncats : ncats-common

Common utility classes used in several NIH/NCATS projects.

Last Version: 0.3.6

Release Date: Dec 15, 2021

MolVec

gov.nih.ncats : molvec

NCATS (chemical) ocr engine that can a way to vectorize chemical images into Chemical objects preserving the 2D layout as much as possible.

Last Version: 0.9.8

Release Date: Oct 14, 2020

ncats-common-cli

gov.nih.ncats : ncats-common-cli

Command line option parser that allows for grouping options such as 'radio options'.

Last Version: 0.9.2

Release Date: Jun 22, 2020