Official Plugins

Official Plugins

This page distinguishes the official desktop catalog, the bundled example, and related plugin research, with separate code and data licence information.

What the catalog contains

ChemDraft 1.0.0 compiles four official entries into apps/desktop/src/plugins/pluginUpdates.ts. Open Plugins → Add or Remove Plugins… to see available packages and engine status. A catalog entry does not prove a GitHub release is currently published; the manager checks when you request an install.

The versions below are the manifests in the readable sibling source repositories, not a claim about today's latest downloadable release. The catalog checks the release source rather than hard-coding these package versions.

Plugin	Source version / API requirement	Status	Licensing
NMR Shift Predictor	0.1.0 / ^0.1.0	Official catalog; separate install	Original code MIT; bundled NMRShiftDB2-derived database under the nmrshiftdb2 Database License, with ODbL-derived attribution/share-alike terms. The complete package is not simply MIT.
Structure from Image (MolScribe)	0.1.0 / ^0.1.6	Official catalog; experimental; host-managed local engine	Plugin code MIT. Separately installed engine components retain their own terms; its README identifies MolScribe code and weights as MIT and PyTorch as BSD.
Name to Structure (OPSIN)	0.3.0 / ^0.1.4	Official catalog; uses host runtime	Plugin code MIT; OPSIN is MIT and distributed by the host.
Name from Structure (Orthonym)	0.1.0 / ^0.1.7	Official catalog; optional local naming engine	Plugin code MIT; the separately downloaded engine and dependencies require their own notices.
SolvKa	No installable manifest found	Research repository; absent from the catalog	Repository code licence MIT; this does not clear research datasets for redistribution.
Mass / m/z Analyzer	0.0.0 / ^0.1.0	Bundled working example, outside the downloadable catalog	Example code MIT; dependencies retain their own licences.

The catalog and readable sibling plugin repositories contain no separate AI-assistant plugin. ChemDraft's CLI, MCP server, agent skill, and gated automation bridge are distinct agent surfaces. See Agent Tools Overview.

NMR Shift Predictor

Plugin ID: org.chemdraft.nmr.predictor. Its release source is jgassens/ChemDraft-NMR-Plugin.

Select a structure, then use Analyze → Predict ¹³C NMR Shifts or Analyze → Predict ¹H NMR Shifts (experimental). Results include a spectrum and shift table in a declarative report, with source tracking so edited structures can make reports stale.

The shipped OCL-native provider derives HOSE atom-environment codes through OpenChemLib and looks them up in statistics from NMRShiftDB2 experimental assignments. Unmatched unsupported environments are omitted with warnings. Applicable additional estimators must retain their own labels and method information. There are no calibrated confidence percentages.

Proton multiplicity and coupling constants are first-order estimates. Stick height represents equivalent nuclei, not experimental integration; field and lineshape are simulation parameters. See NMR Prediction before interpreting a report.

Structure from Image (MolScribe)

Plugin ID: org.chemdraft.ocsr.molscribe. Release source: jgassens/ChemDraft-MolScribe-Plugin.

After installation, Analyze → Recognize Structure from Image asks the host for an image file or screen-region selection. Recognition runs locally through a separately installed engine. The catalog discloses an approximately 2.5 GB engine download; follow the actual disk-space report before installing. The current engine targets Apple silicon macOS and Windows x64; Intel Macs are reported unsupported before download.

Recognition works best on clean computer-drawn structures. Hand-drawn or sketch-style strokes, coloured fills, and grid lines are often misread. Review every result. The plugin proposes insertion; it never requests document.write or model.download. The host supplies the review's source image, confidence tier, and warnings. A tier is not a calibrated probability. See Structure Recognition.

Name to Structure (OPSIN)

Plugin ID: org.chemdraft.opsin.nameToStructure. Release source: jgassens/ChemDraft-OPSIN-Plugin.

Analyze → Structure from Name… opens a host-owned text prompt. OPSIN deterministically parses the supplied name, and the host lays out and inserts a successful conversion as one undoable action. Cancellation is silent; parsing, engine, layout, and insertion failures remain distinct.

Systematic nomenclature is the intended input. An unparsed name is not evidence that a compound does not exist. A build without the host's Java runtime reports the unavailable engine rather than sending the name elsewhere. See Name to Structure.

Name from Structure (Orthonym)

Plugin ID: org.chemdraft.naming.orthonym. Release source: jgassens/ChemDraft-Orthonym-Plugin.

Analyze → Name from Structure shows a verified name; Structure → Convert Structure to Name uses the plugin's insertion command to add a name as text. The optional local engine download is approximately 100 MB. The current naming engine targets Apple silicon macOS and Windows x64; Intel Macs are unsupported. Inspect the manager's platform status before installing.

Only names passing the host's exact OPSIN read-back policy are shown. Labels distinguish a preferred IUPAC name from another systematic name. Read-back cannot catch a name Orthonym and OPSIN both misinterpret identically. See Name from Structure.

SolvKa and examples

The readable chemdraft-solvka-plugin research repository concerns site-specific nonaqueous pKa prediction. Its src directory contains no installable runtime files in this checkout, and the host has no SolvKa catalog entry. Its README's early “no model” status is superseded by later research state describing model experiments; neither establishes a shipped desktop plugin or validated product accuracy. Do not treat it as an available predictor.

The bundled mass analyzer is described in Example Plugins. advanced-style-pack and journal-style-pack contain README-only descriptions of future examples; they are not shipped style plugins.

See also

• Installing and updating plugins
• Plugin permissions
• Licensing and notices