optimade 2.1.0 → 2.1.1

package/CITATION.cff

@@ -0,0 +1,23 @@
+cff-version: 1.2.0
+title: optimade-client
+type: software
+license: MIT
+authors:
+  - given-names: Pavel
+    family-names: Malyshev
+  - given-names: Alexander
+    family-names: Volkov
+  - given-names: Evgeny
+    family-names: Blokhin
+    orcid: 'https://orcid.org/0000-0002-5333-3947'
+doi: 10.5281/zenodo.7693400
+url: 'https://github.com/tilde-lab/optimade-client'
+repository-artifact: 'https://www.npmjs.com/package/optimade'
+keywords:
+  - chemoinformatics
+  - materials science
+  - materials informatics
+  - materials platform
+  - materials design
+  - materials genome
+  - optimade

package/README.md

@@ -3,6 +3,7 @@
 [![NPM version](https://img.shields.io/npm/v/optimade.svg?style=flat)](https://www.npmjs.com/package/optimade)
 [![NPM downloads](https://img.shields.io/npm/dm/optimade.svg?style=flat)](https://www.npmjs.com/package/optimade)
 [![GitHub issues](https://img.shields.io/github/issues/tilde-lab/optimade-client?style=flat)](https://github.com/tilde-lab/optimade-client/issues)
+[![DOI](https://zenodo.org/badge/317343954.svg)](https://doi.org/10.5281/zenodo.7693400)
 
 ## Features
 

package/dist/index.js

@@ -25,7 +25,7 @@
         }
     }
 
-    var version = "2.1.0";
+    var version = "2.1.1";
 
     class Optimade {
         providersUrl = '';

package/dist/index.mjs

@@ -21,7 +21,7 @@ async function fetchWithTimeout(url, options = {}, timeout = 5000) {
     }
 }
 
-var version = "2.1.0";
+var version = "2.1.1";
 
 class Optimade {
     providersUrl = '';

package/dist/prefetched.json

@@ -1 +1 @@
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package/dist/providers.debug.json

@@ -0,0 +1 @@
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package/dist/src/types.d.ts

@@ -104,10 +104,10 @@ export interface ErrorResponse {
     errors: ErrorObject;
     meta: any;
 }
-export declare type ProvidersMap = {
+export type ProvidersMap = {
     [key: string]: Provider;
 };
-export declare type ApisMap = {
+export type ApisMap = {
     [key: string]: Api[];
 };
-export declare type StructuresResult = [Promise<StructuresResponse[]>, Promise<Provider>][];
+export type StructuresResult = [Promise<StructuresResponse[]>, Promise<Provider>][];

package/opencode.json

@@ -0,0 +1,12 @@
+{
+  "$schema": "https://opencode.ai/config.json",
+  "provider": {
+    "ollama-cloud": {
+      "options": {
+        "baseURL": "https://ollama.com/v1",
+        "apiKey": "94125bf0e3114509a65c6d4091eaa69c.qt7h_3Jas4_bfBHCRQpDKJ0P"
+      }
+    }
+  }
+}
+

package/openspec/changes/fix-npm-publish-dependency/.openspec.yaml

@@ -0,0 +1,2 @@
+schema: spec-driven
+created: 2026-06-20

package/openspec/changes/fix-npm-publish-dependency/design.md

@@ -0,0 +1,48 @@
+## Context
+
+The `optimade` package is published via `npm publish`, which triggers `prepublishOnly` → `npm run build && npm run prefetch`. On the current development machine (Node 22, npm 10) this pipeline exits non-zero, blocking releases. Root-cause analysis identified two independent dependency incompatibilities rather than a source-code defect:
+
+1. **Build step crash.** `rollup-plugin-typescript2@0.28.0` declares a default `include` of `["*.ts+(|x)", "**/*.ts+(|x)"]`. It resolves `@rollup/pluginutils@3.1.0`, whose picomatch does not interpret the `+(|x)` extglob the way rpt2 expects. The internal `filter(id)` therefore returns `false` for `src/index.ts`, the `transform` hook returns `undefined`, and rollup's native acorn parser then chokes on TypeScript syntax (`import type * as Types from './types';`) with `Unexpected token`. Confirmed by tracing the `transform` hook and observing it return `undefined`; the same file transforms correctly once pluginutils is upgraded.
+2. **Prefetch step crash.** `prefetch.js` does `global.AbortController = require('node-abort-controller').AbortController` before requiring `./dist/index`. The polyfill's `AbortSignal` is not the native `AbortSignal` that undici (Node's built-in `fetch`) binds to its internal `EventEmitter`. When `fetchWithTimeout` fires `ac.abort()` after the timeout, undici calls `this.removeEventListener(...)` on its own internal controller and throws `TypeError: this.removeEventListener is not a function`, crashing the process. Removing the polyfill override and using the native `AbortController` (available since Node 18) eliminates the crash; individual provider JSON errors are already swallowed by the existing `catch` blocks in `src/index.ts`.
+
+Constraints: no public API change, no source change in `src/utils.ts`, must keep producing `dist/index.mjs` (ESM) and `dist/index.js` (UMD) via the existing rollup config.
+
+## Goals / Non-Goals
+
+**Goals:**
+- `npm publish --dry-run` and `npm publish` complete `prepublishOnly` with exit code 0 on Node 18+.
+- `rollup --config` transforms `src/index.ts` and emits both `dist/index.mjs` and `dist/index.js`.
+- `prefetch.js` runs to completion without a `removeEventListener` crash; transient per-provider HTTP/JSON errors remain non-fatal (as today).
+- Minimize churn: keep the existing `rollup.config.js` structure and `src/` untouched.
+
+**Non-Goals:**
+- Rewriting the build to a newer rollup major (3.x/4.x) or to `@rollup/plugin-typescript`.
+- Replacing `isomorphic-unfetch` or restructuring `fetchWithTimeout`.
+- Hardening `prefetch.js` against malformed provider responses beyond the existing `catch` behavior.
+- Adding CI or a Node engines constraint beyond what already exists (though `engines` may be noted as a follow-up).
+
+## Decisions
+
+**Decision 1 — Bump `rollup-plugin-typescript2` to `^0.37.0` rather than pinning a workaround.**
+- Rationale: 0.37 depends on `@rollup/pluginutils@^4`, whose micromatch matches `**/*.ts+(|x)`, restoring the `transform` hook for `.ts` files. Verified empirically: after the upgrade, `npm run build` emits both output files in ~400ms.
+- Alternatives considered:
+  - Pass an explicit `include: ['src/**/*.ts', 'src/**/*.tsx']` to `typescript()` in `rollup.config.js` and keep rpt2 0.28. This fixes the filter but leaves the package on an unmaintained rpt2 with known incompatibilities. Rejected: more invasive (config edit) and leaves stale dependency.
+  - Switch to `@rollup/plugin-typescript`. Rejected: requires `tslib` wiring and a config rewrite, larger blast radius for a publish fix.
+- Trade-off: 0.37 keeps `rollup >= 1.26.3` as a peer, so it stays compatible with the pinned `rollup ^2.47.0`. No rollup upgrade required.
+
+**Decision 2 — Remove `node-abort-controller` entirely (dependency + override) rather than keeping it guarded.**
+- Rationale: `AbortController` and `fetch` are global on Node 18+. The package already depends on a native `fetch` (via `isomorphic-unfetch` in the browser path and undici in Node). The polyfill is actively harmful on supported Node versions because undici assumes a native signal.
+- Alternatives considered:
+  - Guard the override with `if (!global.AbortController)`. Rejected: keeps a dead dependency in `dependencies` (ship weight) and the polyfill is still wrong if ever loaded on a modern runtime.
+  - Bump `node-abort-controller` to a newer major. Rejected: the project does not need a polyfill at all on Node 18+; newer majors of that package also just re-export the native impl on modern Node.
+- Trade-off: drops support for Node < 18 for the `prefetch.js` script. Acceptable because Node 16 is EOL and the native `fetch` path already requires a modern runtime. The library code (`src/utils.ts`) is unchanged and continues to use the global `AbortController`.
+
+**Decision 3 — Keep `rollup.config.js`, `tsconfig.json`, and `src/` untouched.**
+- Rationale: the failure is purely dependency/toolchain-side. Editing source would expand scope and risk changing published behavior.
+
+## Risks / Trade-offs
+
+- [Node < 18 users running `prefetch.js`] → Mitigation: native `AbortController` is required; this is the same baseline Node's own `fetch` requires. Document in the change that the prefetch script targets Node 18+. (The published library itself does not invoke `prefetch.js`.)
+- [`rollup-plugin-typescript2@0.37` brings `tslib@^2` as a runtime dependency of the plugin] → Mitigation: `tslib` is only used by rpt2 internals; the emitted bundle does not import `tslib` unless `importHelpers` is set (it is not in `tsconfig.json`). Verified by inspecting emitted `dist/index.mjs`.
+- [Transient provider-side errors during `prefetch.js` still print stack traces] → Non-fatal: these are caught by existing `try/catch` blocks in `addProvider`/`getProviders`; the script continues and writes its output. Out of scope to silence.
+- [npm transitive dedupe leaves `@rollup/pluginutils@3` for `@rollup/plugin-json@4`] → Acceptable: rpt2 now resolves its own `@rollup/pluginutils@4`; the two copies coexist without conflict (confirmed via `npm ls @rollup/pluginutils`).

package/openspec/changes/fix-npm-publish-dependency/proposal.md

@@ -0,0 +1,24 @@
+## Why
+
+`npm publish` cannot complete because the `prepublishOnly` script (`npm run build && npm run prefetch`) fails on modern Node. Two pinned dependencies are incompatible with the current toolchain: `rollup-plugin-typescript2@0.28.0` ships a default `include` glob that the transitive `@rollup/pluginutils@3` picomatch cannot match, so TypeScript sources are never transformed and the rollup build crashes; and `node-abort-controller@3.0.1` is a polyfill that is incompatible with the native `fetch`/`AbortController` shipped since Node 18, causing `prefetch.js` to throw `this.removeEventListener is not a function`. Both issues must be fixed so that releases can be cut from a current Node environment.
+
+## What Changes
+
+- Upgrade `rollup-plugin-typescript2` from `^0.28.0` to `^0.37.0` so that it pulls `@rollup/pluginutils@^4`, whose micromatch correctly handles the default `**/*.ts+(|x)` include pattern. This makes `rollup --config` transform `.ts` files again and produce `dist/index.mjs` and `dist/index.js`.
+- Remove the `node-abort-controller` runtime dependency and the `global.AbortController = AbortController` override in `prefetch.js`, relying on the native `AbortController` available in Node 18+. This eliminates the `removeEventListener` crash during `prefetch`.
+- No public API of the `optimade` package changes; the published artifact (`dist/`) and entry points remain identical.
+
+## Capabilities
+
+### New Capabilities
+- `publish-build-pipeline`: Requirements for the `prepublishOnly` pipeline (lint → rollup build → prefetch) running under a supported Node version, ensuring `dist/` is produced and the prefetch step does not crash the publish flow.
+
+### Modified Capabilities
+<!-- None: no existing specs in openspec/specs/. -->
+
+## Impact
+
+- **Dependencies**: `devDependencies.rollup-plugin-typescript2` bumped `^0.28.0` → `^0.37.0`; `dependencies.node-abort-controller` removed.
+- **Code**: `prefetch.js` drops the polyfill import and `global.AbortController` override; `src/utils.ts` is unchanged (it already uses the global `AbortController`).
+- **Tooling**: `npm publish` (and `npm publish --dry-run`) on Node 18+ should run `prepublishOnly` to completion without a non-zero exit.
+- **Runtime**: Consumers on Node < 18 would lose the `AbortController` polyfill; this is acceptable because Node 16 is EOL and the package's `fetchWithTimeout` requires a native `fetch`/`AbortController` anyway.

package/openspec/changes/fix-npm-publish-dependency/specs/publish-build-pipeline/spec.md

@@ -0,0 +1,56 @@
+## ADDED Requirements
+
+### Requirement: Build step produces both bundle outputs
+
+The `prepublishOnly` build pipeline SHALL transform TypeScript sources and emit both `dist/index.mjs` (ES module) and `dist/index.js` (UMD) with exit code 0. The rollup TypeScript plugin's `transform` hook SHALL be invoked for every `.ts` entry under `src/`, so that native acorn parsing never sees raw TypeScript syntax.
+
+#### Scenario: Rollup build succeeds on Node 18+
+
+- **WHEN** `npm run build` is executed on Node 18+
+- **THEN** the command exits with code 0
+- **AND** the file `dist/index.mjs` exists and is non-empty
+- **AND** the file `dist/index.js` exists, is non-empty, and contains a UMD wrapper
+
+#### Scenario: TypeScript transform hook is engaged
+
+- **WHEN** `rollup --config` runs against `src/index.ts`
+- **THEN** the `rollup-plugin-typescript2` `transform` hook returns transformed JavaScript (not `undefined`) for `src/index.ts`
+- **AND** no `Unexpected token ... you need plugins to import files that are not JavaScript` error is raised
+
+### Requirement: Prefetch step does not crash on modern Node
+
+The `prefetch` script (`node prefetch.js`) SHALL run to completion without an uncaught `TypeError` originating from `AbortController`/`AbortSignal`. It SHALL rely on the native global `AbortController` provided by Node 18+ and SHALL NOT install a polyfill override that is incompatible with undici's internal `fetch` implementation.
+
+#### Scenario: AbortSignal timeout no longer throws removeEventListener
+
+- **WHEN** `node prefetch.js` runs on Node 18+ and a provider request times out
+- **THEN** the timeout is handled via the native `AbortController`
+- **AND** no `TypeError: this.removeEventListener is not a function` is thrown
+- **AND** the process does not exit with a non-zero code due to the abort path
+
+#### Scenario: Transient provider errors remain non-fatal
+
+- **WHEN** a provider returns non-JSON (e.g. an HTML error page) or a network error
+- **THEN** the error is caught by the existing `try/catch` blocks in `src/index.ts`
+- **AND** `prefetch.js` continues processing remaining providers rather than crashing
+
+### Requirement: Publish pipeline end-to-end
+
+`npm publish` SHALL drive `prepublishOnly` (`npm run build && npm run prefetch`) to completion with exit code 0 on Node 18+, so that the package can be released without a non-zero exit from the lifecycle hook.
+
+#### Scenario: Dry-run publish completes
+
+- **WHEN** `npm publish --dry-run` is executed on Node 18+
+- **THEN** `prepublishOnly` runs both `build` and `prefetch`
+- **AND** neither step terminates the publish with a non-zero exit code attributable to a dependency incompatibility
+
+### Requirement: Dependency declarations reflect the fix
+
+`package.json` SHALL declare `rollup-plugin-typescript2` at `^0.37.0` (or higher) in `devDependencies` and SHALL NOT list `node-abort-controller` in `dependencies`. The runtime code SHALL continue to reference the global `AbortController` (no source change required in `src/utils.ts`).
+
+#### Scenario: Dependency manifest after the change
+
+- **WHEN** `package.json` is inspected after the change is applied
+- **THEN** `devDependencies.rollup-plugin-typescript2` is `^0.37.0` or greater
+- **AND** `dependencies` does not contain an entry for `node-abort-controller`
+- **AND** `src/utils.ts` still constructs `new AbortController()` from the global scope

package/openspec/changes/fix-npm-publish-dependency/tasks.md

@@ -0,0 +1,30 @@
+## 1. Dependency declarations
+
+- [x] 1.1 In `package.json`, bump `devDependencies.rollup-plugin-typescript2` from `^0.28.0` to `^0.37.0`.
+- [x] 1.2 In `package.json`, remove `node-abort-controller` from `dependencies`.
+- [x] 1.3 Run `npm install` to refresh `package-lock.json` (rpt2 0.37 should bring `@rollup/pluginutils@^4`; verify with `npm ls @rollup/pluginutils`).
+- [x] 1.4 Confirm `npm ls rollup-plugin-typescript2` reports `0.37.x` and that `node-abort-controller` is no longer present in the tree.
+
+## 2. Prefetch script
+
+- [x] 2.1 In `prefetch.js`, remove the `const { AbortController } = require('node-abort-controller');` import.
+- [x] 2.2 In `prefetch.js`, remove the `global.AbortController = AbortController;` override.
+- [x] 2.3 Leave `src/utils.ts` unchanged (it already uses the global `AbortController`).
+
+## 3. Verify build
+
+- [x] 3.1 Run `npm run build` and confirm exit code 0.
+- [x] 3.2 Confirm `dist/index.mjs` exists and is non-empty.
+- [x] 3.3 Confirm `dist/index.js` exists, is non-empty, and contains a UMD wrapper.
+- [x] 3.4 Confirm no `Unexpected token ... you need plugins to import files that are not JavaScript` error is raised.
+
+## 4. Verify prefetch
+
+- [x] 4.1 Run `node prefetch.js` on Node 18+.
+- [x] 4.2 Confirm no `TypeError: this.removeEventListener is not a function` is thrown.
+- [x] 4.3 Confirm transient per-provider JSON/HTTP errors are caught (existing behavior) and do not crash the process.
+
+## 5. Verify publish pipeline
+
+- [x] 5.1 Run `npm publish --dry-run` and confirm `prepublishOnly` (`build` + `prefetch`) completes with exit code 0.
+- [x] 5.2 Confirm `dist/` artifacts are the ones packaged by npm.

package/openspec/config.yaml

@@ -0,0 +1,20 @@
+schema: spec-driven
+
+# Project context (optional)
+# This is shown to AI when creating artifacts.
+# Add your tech stack, conventions, style guides, domain knowledge, etc.
+# Example:
+#   context: |
+#     Tech stack: TypeScript, React, Node.js
+#     We use conventional commits
+#     Domain: e-commerce platform
+
+# Per-artifact rules (optional)
+# Add custom rules for specific artifacts.
+# Example:
+#   rules:
+#     proposal:
+#       - Keep proposals under 500 words
+#       - Always include a "Non-goals" section
+#     tasks:
+#       - Break tasks into chunks of max 2 hours

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "optimade",
-  "version": "2.1.0",
+  "version": "2.1.1",
   "description": "Aggregating Optimade client for the online materials databases",
   "main": "dist/index.js",
   "module": "dist/index.mjs",
@@ -23,14 +23,13 @@
     "@types/jest": "^26.0.15",
     "jest": "^26.6.0",
     "rollup": "^2.47.0",
-    "rollup-plugin-typescript2": "^0.28.0",
+    "rollup-plugin-typescript2": "^0.37.0",
     "ts-jest": "^26.4.1",
     "eslint": "^8.16.0",
     "typescript": "^4.0.3"
   },
   "dependencies": {
-    "isomorphic-unfetch": "^3.1.0",
-    "node-abort-controller": "^3.0.1"
+    "isomorphic-unfetch": "^3.1.0"
   },
   "keywords": [
     "optimade",

package/prefetch.js

@@ -6,10 +6,6 @@ const fs = require('fs');
 const path = require('path');
 const { Optimade } = require('./dist/index');
 
-const { AbortController } = require('node-abort-controller');
-
-global.AbortController = AbortController;
-
 const optimade = new Optimade({
 	providersUrl: 'https://providers.optimade.org/providers.json'
 });
@@ -55,19 +51,23 @@ optimade.getProviders().then(async (providers) => {
 							: e.detail
 						: '0';
 				};
+				// take care of the pagination for GUIs
 				const nums = detail(res.errors).match(/\d+/g).filter(n => +n < max).map(n => +n);
 				return {
 					[k]: { ...v, attributes: { ...v.attributes, api_version: api, ['query_limits']: !nums.includes(0) ? nums : [10] } }
 				};
 			} catch (error) {
-				console.log(error);
+				console.error(error);
 			}
 		};
 		time = performance.now();
 		return await Object.entries(providers).reduce(async (promise, [k, v], i) => {
 			const provider = await fetchLimits(k, v);
 			const acc = await promise;
-			console.log(i, provider);
+
+			console.log(`Provider # ${i}:`);
+			console.log(JSON.stringify(provider, null, 4));
+
 			return { ...acc, ...provider };
 		}, Promise.resolve({}));
 	}
@@ -80,16 +80,16 @@ optimade.getProviders().then(async (providers) => {
 		console.log({
 			prefetched: Object.keys(providers).length,
 			source: Object.keys(source).length,
-			alltime: performance.now() - alltime
+			time: performance.now() - alltime
 		});
 
 		fs.writeFile(path.join(__dirname, 'dist/prefetched.json'), JSON.stringify(data), (err) => {
 			if (err) throw err;
 			console.log('The prefetched.json file has been saved!');
 		});
-		fs.writeFile(path.join(__dirname, 'dist/providers.json'), JSON.stringify(source), (err) => {
+		fs.writeFile(path.join(__dirname, 'dist/providers.debug.json'), JSON.stringify(source), (err) => {
 			if (err) throw err;
-			console.log('The providers.json file has been saved!');
+			console.log('The providers.debug.json file has been saved!');
 		});
 	});
 

package/src/index.ts

@@ -190,7 +190,7 @@ export class Optimade {
             Object.entries(params).forEach((param: [string, any]) => url.searchParams.append(...param));
         }
 
-        Object.assign(headers, { 'User-Agent': `tilde-lab-optimade-client/${version}` })
+        Object.assign(headers, { 'User-Agent': `tilde-lab-optimade-client/${version}` });
 
         const res = await fetchWithTimeout(url.toString(), { headers }, timeout);
 
@@ -224,4 +224,4 @@ export class Optimade {
             data.find(({ attributes }) => attributes.api_version === meta.api_version) :
             data;
     }
-}
+}

package/dist/providers.json

@@ -1 +0,0 @@
-{"2dstructures":{"id":"2dstructures","type":"links","attributes":{"name":"2D Structures","description":"Two-dimensional (2D) materials from high-throughput computational exfoliation of experimentally known compounds.","base_url":"https://aiida.materialscloud.org/2dstructures/optimade","homepage":"https://materialscloud.org/explore/2dstructures","link_type":"child","aggregate":"ok","no_aggregate_reason":null}},"2dtopo":{"id":"2dtopo","type":"links","attributes":{"name":"2D topological insulators","description":"Quantum spin Hall insulator (QSHI) candidates through DFT band structure calculations.","base_url":"https://aiida.materialscloud.org/2dtopo/optimade","homepage":"https://materialscloud.org/explore/2dtopo","link_type":"child","aggregate":"ok","no_aggregate_reason":null}},"aflow":{"id":"aflow","type":"links","attributes":{"name":"AFLOW","description":"The AFLOW OPTIMADE endpoint","base_url":"http://aflow.org/API/optimade/","homepage":"http://aflow.org","link_type":"child"}},"cod":{"id":"cod","type":"links","attributes":{"name":"Crystallography Open Database","description":"Open-access collection of crystal structures of organic, inorganic, metal-organics compounds and minerals, excluding biopolymers","base_url":"https://www.crystallography.net/cod/optimade","homepage":"https://www.crystallography.net/cod","link_type":"child"}},"curated-cofs":{"id":"curated-cofs","type":"links","attributes":{"name":"CURATED covalent organic frameworks database","description":"Database of experimentally reported Covalent-Organic Frameworks (COFs), provided with DFT-optimized geometry and DDEC partial charges for molecular simulations.","base_url":"https://aiida.materialscloud.org/curated-cofs/optimade","homepage":"https://materialscloud.org/discover/curated-cofs","link_type":"child","aggregate":"ok","no_aggregate_reason":null}},"jarvis":{"id":"jarvis","type":"links","attributes":{"name":"JARVIS-DFT","description":"JARVIS-DFT is a materials property repository focused on density functional theory (DFT) predictions of material properties, especially for crystalline materials.","base_url":"https://jarvis.nist.gov/optimade/jarvisdft","homepage":"https://jarvis.nist.gov","link_type":"child"}},"li-ion-conductors":{"id":"li-ion-conductors","type":"links","attributes":{"name":"Solid-state Li-ion conductors.","description":"High-throughput computational screening study for solid-state Li-ion conductors.","base_url":"https://aiida.materialscloud.org/li-ion-conductors/optimade","homepage":"https://materialscloud.org/explore/li-ion-conductors","link_type":"child","aggregate":"staging","no_aggregate_reason":null}},"mc3d-structures":{"id":"mc3d-structures","type":"links","attributes":{"name":"Materials Cloud three-dimensional crystals database (MC3D)","description":"Curated set of relaxed three-dimensional crystal structures based on raw CIF data from the experimantal databases MPDS, COD, and ICSD.","base_url":"https://aiida.materialscloud.org/mc3d-structures/optimade","homepage":"https://materialscloud.org/explore/mc3d-structures","link_type":"child","aggregate":"ok","no_aggregate_reason":null}},"mp":{"id":"mp","type":"links","attributes":{"name":"The Materials Project","description":"The Materials Project OPTIMADE endpoint","base_url":"https://optimade.materialsproject.org","homepage":"https://www.materialsproject.org","link_type":"child"}},"mpds":{"id":"mpds","type":"links","attributes":{"name":"Materials Platform for Data Science","description":"A highly curated Pauling File dataset based on ~0.5M publications and backing up Springer Materials, ICDD PDF, ASM APD, MedeA, Pearson Crystal Data, AtomWork Advanced, etc.","base_url":"https://api.mpds.io","homepage":"https://mpds.io","link_type":"child"}},"nmd":{"id":"nmd","type":"links","attributes":{"name":"novel materials discovery (NOMAD)","description":"A FAIR data sharing platform for materials science data","base_url":"https://nomad-lab.eu/prod/rae/optimade/","homepage":"https://nomad-lab.eu","link_type":"child"}},"odbx":{"id":"odbx","type":"links","attributes":{"name":"odbx","description":"The Open Database of Xtals is run by the group of Dr Andrew Morris at the universities of Birmingham and Cambridge and is constructed using the matador library.","base_url":"https://optimade.odbx.science","homepage":"https://odbx.science","link_type":"child","aggregate":"ok","no_aggregate_reason":null}},"omdb_production":{"id":"omdb_production","type":"links","attributes":{"name":"Open Materials Database (omdb) production database","description":"This is the main production version of the Open Materials Database","base_url":"http://optimade.openmaterialsdb.se","homepage":"http://openmaterialsdb.se","link_type":"child"}},"optimade-sample":{"id":"optimade-sample","type":"links","attributes":{"name":"OPTIMADE Sample Database","description":"Database with example structures for OPTIMADE tests.","base_url":"https://aiida.materialscloud.org/optimade-sample/optimade","homepage":"https://materialscloud.org/explore/optimade-sample","link_type":"child","aggregate":"test","no_aggregate_reason":null}},"pyrene-mofs":{"id":"pyrene-mofs","type":"links","attributes":{"name":"Pyrene MOFs","description":"Pyrene Metal Organic Frameworks 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