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Releases: templetwo/temple-molecular-workbench

Temple Lab 1.3 · Reaction lab

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@templetwo templetwo released this 10 Sep 07:23

Meet the Reaction lab

Open Reaction lab in the workbench header. You declare the reactants and products from the species library; the app does the bookkeeping:

  • Conservation and balance. Atom conservation is checked and a small-integer balance is found. An equation that cannot balance says so and shows no totals.
  • Amounts. Type moles for each reactant to get the limiting reagent, theoretical product moles, and atom economy, defined as the first listed product's mass over the mass of all reactants in the balanced equation.
  • 298.15 K standard-state totals. ΔrH°, ΔrG°, and K are arithmetic over quoted Chase 1998 (JANAF) formation enthalpies and entropies, retrieved from the NIST WebBook on 2026-09-06 and cited on every card. If any species lacks a quoted value, the total reads Not available. It is never zero.

Methane combustion to liquid water totals −890.31 kJ/mol; to water vapor, −802.31 kJ/mol. The difference is the quoted phase difference, nothing more. The lab does not predict products, rates, or plant conditions.

Species and identity

Eleven species carry CAS numbers, InChIKeys, and links to the NIST WebBook, CCCBDB, and PubChem: the original six plus hydrogen, nitrogen, oxygen, carbon monoxide, and liquid water as a bookkeeping species with no 3D model. The four gases join the 3D collection with CCCBDB bond lengths. Benzene keeps its identity while its formation data stays unavailable in this cut. Ethanol's ΔfH° is a WebBook mixed evaluation and is labeled as one.

Units, masses, and readouts

  • A unit toggle for temperature, energy, and pressure, persisted on its own key. Scene files stay schema version 1.
  • Hydrogen, carbon, nitrogen, and oxygen masses cite the CIAAW abridged standard atomic weights, with the interval weights named in the note rather than flattened into a scalar. Water and methane molar masses now show the measured/evaluated badge.
  • Bond-length callouts and an explain-this-bond focus dim, both off by default.
  • XYZ export and import of coordinates. Bonds are not part of XYZ; an import comes back as unbonded atoms.

Mac download

Download Temple-Lab-macOS-arm64.zip, unzip, and double-click Temple Lab.app. Apple Silicon, macOS 11 or later. The runtime is included; no Node, Python, or npm installation is needed. This build is not Developer ID signed or notarized; macOS may ask you to approve it in System Settings → Privacy & Security. Opening the app again reuses the running workbench.

The science

Reference geometries come from NIST CCCBDB. Thermochemistry is quoted, cited, and summed; it is not computed here. The Electron Lab's hydrogen orbitals and FCI/STO-3G H₂ lesson are unchanged from 1.1.0. No force field, optimizer, or reactivity prediction exists in this app.

See reaction methods and limits, molecule data notes, and element data notes.

Verified locally before release: 105 chemistry, species, element, and bonding tests plus 17 launcher tests; ESLint, TypeScript, and the production build; 13 workbench, 7 Electron Lab, 7 bonding coach, and 10 Reaction lab browser workflows in Chromium against the development server, with the bonding and Reaction lab workflows also passing in Firefox and WebKit; and 29 packaged workflows against this bundle with external networking blocked. A five-lens adversarial code review preceded the release; its nine confirmed findings were fixed and re-verified. bundle-manifest.json carries the runtime, server, and archive SHA-256 hashes. Passing these checks does not establish reference-data accuracy for values still marked unverified.

Temple Lab 1.2 · Bonding coach

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@templetwo templetwo released this 06 Sep 19:21

Meet the Bonding coach

Open Structure insights → Bonding coach in the workbench to:

  • Check a drawing. See whether your drawn bond pattern matches one of the six reference molecules. Recognition compares element labels and bond orders against the reference graphs, independent of atom numbering and coordinates. Ethanol and dimethyl ether share a formula and are told apart by their connections.
  • See what your atoms could build. Inventory comparisons list which references your atom counts could complete and what is missing. They use atom counts only.
  • Build a known molecule. Start a guided build with numbered atoms, blue 3D hints, keyboard-accessible controls, and one undo step per connection. Load the sourced reference geometry only when you choose to.

The coach identifies known structures. It does not predict reactions, stability, products, or conditions. A drawing outside the six-reference library is not labeled impossible.

Element data with explicit status

Every element property now carries a scientific status (measured/evaluated, calculated/predicted, unverified, or unavailable) separate from its provenance (inherited, cited, or withheld). Helium's atomic mass cites the CIAAW standard weight 4.002 602(2). Hassium's inherited melting point and density, carbon's unqualified density, and copernicium's inherited boiling point are withheld with their sources rather than guessed. Molar-mass totals inherit the weakest input status, round to the least precise supplied decimal place, and list their sources.

Clearer boundaries

Common-valence checks now say how many atoms they cover and name the elements they do not check. Bond lists are labeled as drawn connections, not predicted bond lengths. The Electron Lab's H₂ lesson states on its face that it is precomputed at fixed nuclear separations and that its lowest sampled energy is a model result, not an experimental binding energy.

Mac download

Download Temple-Lab-macOS-arm64.zip, unzip, and double-click Temple Lab.app. Apple Silicon, macOS 11 or later. The runtime is included; no Node, Python, or npm installation is needed. This build is not Developer ID signed or notarized; macOS may ask you to approve it in System Settings → Privacy & Security. Opening the app again reuses the running workbench.

The science

Reference geometries come from NIST CCCBDB. Atomic views use analytic nonrelativistic hydrogen solutions. H₂ uses reproducible PySCF 2.14.0 singlet FCI/STO-3G calculations with a separately calculated neutral-H reference. These are stationary density views and a finite-basis teaching model, not electron paths, reaction dynamics, or quantum calculations on edited structures.

See bonding methods and boundaries, element data notes, and Electron Lab scientific notes.

Verified locally before release: 93 regression tests, ESLint, TypeScript, and the production build; 27 Chromium browser workflows against the development server; the 7 bonding-coach workflows also in Firefox and WebKit; and 19 packaged workflows against this bundle with external networking blocked. bundle-manifest.json carries the runtime, server, and archive SHA-256 hashes. Passing these checks does not establish reference-data accuracy for values still marked unverified.

Temple Lab 1.1 · Electron Lab

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@templetwo templetwo released this 05 Sep 19:44

Meet Electron Lab

Open Electron lab in the workbench header to explore two new lessons:

  • Atomic orbitals: rotatable hydrogen 1s, 2s, and 2p probability clouds, enlarged nucleus markers, and clear explanations of orbital nodes.
  • A bond forms: move two hydrogen nuclei through 25 calculated separations and inspect the corresponding electron density and energy curve.

Your editable molecule, selection, and undo/redo history stay unchanged. The lessons work offline; explanations and the energy curve remain available without WebGL.

Mac download

Download Temple-Lab-macOS-arm64.zip, unzip, and double-click Temple Lab.app. Apple Silicon, macOS 11 or later. The runtime is included; no Node, Python, or npm installation is needed. This build is not Developer ID signed or notarized.

The science

Atomic views use analytic nonrelativistic hydrogen solutions. H₂ uses reproducible PySCF 2.14.0 singlet FCI/STO-3G calculations, including nuclear repulsion and a separately calculated neutral-H energy reference. These are stationary density views and a finite-basis teaching model—not electron paths, live reaction dynamics, experimental binding energies, or quantum calculations on arbitrary edited structures.

See scientific methods and reproducibility.

Verified locally: 36 regression tests and 32 browser workflows across development and packaged builds. An integrity manifest accompanies the ZIP.

Temple Lab · Molecular Workbench 1.0

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@templetwo templetwo released this 05 Sep 18:33

Changelog

1.0.0 — 2026-09-05

Temple Molecular Workbench turns the original chemistry prototype into an interactive learning studio.

  • Graphite-and-lime interface with a molecule collection, 3D editing viewport, and structure inspector.
  • Six NIST-grounded reference structures: benzene, water, methane, ammonia, carbon dioxide, and ethanol.
  • Glossy CPK-colored atoms and split-color bonds, three representations, camera fitting, labels, grid, and rotation controls.
  • True 3D dragging, keyboard coordinate editing, and atom-list bonding/deletion.
  • Undo/redo, local persistence, and validated JSON workspace import/export.
  • Searchable 118-element library with keyboard/touch addition and schematic atomic and crystal views.
  • Formula, molar mass, bond distances, fragment counts, and limited neutral-valence notes.
  • Responsive layouts, dialog focus handling, and a recoverable WebGL-unavailable view.
  • Public-registry dependency lockfile, automated checks, source references, contribution templates, and MIT licensing.
  • A one-click macOS app with its own Node runtime, an offline loopback server, and an architecture-specific ZIP bundle.
  • Temple Lab vector and PNG logos, a native macOS icon, and reproducible branding assets.

The downloadable Mac bundle targets Apple Silicon and macOS 11 or later. It is not yet Developer ID signed or notarized.

This release models and explains molecular structures. It does not calculate reactions, equilibrium geometries, or quantum behavior. The inherited elemental-property data remains subject to a provenance audit.