@kent-tokyo/chematic 1.0.4 → 1.0.5
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +1 -21
- package/chematic_wasm_bg.wasm +0 -0
- package/package.json +1 -1
package/README.md
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@@ -160,29 +160,9 @@ portable across native and `wasm32-unknown-unknown`
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precision across every JS engine, only that the value is finite, non-negative,
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and enforced correctly on all of them.
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## Version History
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**v0.1.94** (2026-06-12):
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- SA Score corpus expanded: 188 FDA molecules (1415 unique fragments)
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- Enhanced fingerprints: True MHFP, True ERG, path FP with bond types
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- Full multi-sphere CIP stereochemistry for R/S assignment
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- InChI stereo layer round-trip support (tetrahedral and E/Z)
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**v0.1.93** (2026-06-12):
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- Full multi-sphere CIP priority rules
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- Correct stereochemistry assignment for complex chiral centers
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**v0.1.92** (2026-06-12):
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- InChI stereo layer parsing (tetrahedral `/t` and E/Z `/b`)
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- Path fingerprint with bond type interleaving
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**v0.1.91** (2026-06-12):
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- True MHFP (structural fragment hashing)
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- True ERG (Ertl 2017 functional group detection)
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## Bundle Size
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The optimized v1.0.2-candidate artifact was measured at **3.30 MB raw / 1.21 MB gzip**. Bundle size depends on features and toolchain; see [`benchmarks/2026-09-04-wasm-size.md`](../../benchmarks/2026-09-04-wasm-size.md) for exact tools, digest, and reproduction steps.
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PNG rasterization (`tiny_skia`) is excluded from the WASM build — use SVG output instead. All SVG depiction APIs remain fully available.
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package/chematic_wasm_bg.wasm
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Binary file
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package/package.json
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@@ -5,7 +5,7 @@
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"Kentaro Tanabe (kent-tokyo) <kent-tokyo@users.noreply.github.com>"
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],
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"description": "WebAssembly bindings for chematic — use chematic from JavaScript/TypeScript",
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"version": "1.0.
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"version": "1.0.5",
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"license": "MIT OR Apache-2.0",
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"repository": {
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"type": "git",
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