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{
"name": "dirac",
"version": "5.11.0",
"description": "Open molecular discovery environment for interactive design, scientific computation, molecular ML, and traceable scientific workflows.",
"homepage": "https://github.com/ivanicu/Dirac#readme",
"repository": {
"type": "git",
"url": "https://github.com/ivanicu/Dirac.git"
},
"bugs": {
"url": "https://github.com/ivanicu/Dirac/issues"
},
"keywords": [
"drug-discovery",
"molecular-design",
"computational-chemistry",
"cheminformatics",
"molecular-machine-learning",
"scientific-computing",
"molstar",
"rdkit"
],
"engines": {
"node": ">=22.0.0"
},
"scripts": {
"lint": "eslint .",
"lint-fix": "eslint . --fix",
"test": "npm install --no-save \"gl@^6.0.2\" && npm run lint && jest",
"jest": "jest",
"test:chem-packs": "jest src/mol-plugin-chem/_spec/compose.spec.ts --runInBand && node scripts/check-chem-packs.mjs",
"compile:mn-r4": "node scripts/compile-molecular-nodes.mjs --blend ../MolecularNodes/molecularnodes/assets/node_data_file.blend --blender ../blender-5.2.0-linux-x64/blender --upstream-repository https://github.com/BradyAJohnston/MolecularNodes --upstream-commit 5b52da2e29a07fd3e8f545f70c252ace591375bb --upstream-version 5.2.0 --check",
"test:mn-r4-compiler": "node scripts/check-mn-r4-compiler.mjs",
"clean": "node ./scripts/clean.js --all",
"clean:build": "node ./scripts/clean.js --build",
"build": "npm run build:apps && npm run build:lib",
"build:apps": "node ./scripts/build.mjs -a -e --prd",
"build:lib": "concurrently \"tsc --incremental\" \"tsc --build tsconfig.commonjs.json --incremental\" && npm run build:lib-extra",
"build:lib-extra": "node scripts/write-version.mjs && cpx \"src/**/*.{scss,html,ico,jpg}\" lib/ && cpx \"src/**/*.{scss,html,ico,jpg}\" lib/commonjs/ && cpx \"src/mol-plugin-chem/visual-r4/compiled/**/*.{json,wgsl}\" lib/mol-plugin-chem/visual-r4/compiled && cpx \"src/mol-plugin-chem/visual-r4/compiled/**/*.{json,wgsl}\" lib/commonjs/mol-plugin-chem/visual-r4/compiled && tsc-alias -p tsconfig.json",
"rebuild": "npm run clean && npm run build",
"dev": "node ./scripts/build.mjs",
"dev:all": "node ./scripts/build.mjs -a -e -bt",
"dev:viewer": "node ./scripts/build.mjs -a viewer",
"dev:apps": "node ./scripts/build.mjs -a",
"dev:examples": "node ./scripts/build.mjs -e",
"dev:browser-tests": "node ./scripts/build.mjs -bt",
"serve": "http-server -p 1338 -g",
"deploy:local": "npm run clean:build && npm run build:apps && node ./scripts/deploy.js --local",
"deploy:remote": "npm run clean:build && npm run build:apps && node ./scripts/deploy.js",
"model-server": "node lib/commonjs/servers/model/server.js",
"model-server-watch": "nodemon --watch lib lib/commonjs/servers/model/server.js",
"volume-server-test": "node lib/commonjs/servers/volume/server.js --idMap em 'test/${id}.mdb' --defaultPort 1336",
"plugin-state": "node lib/commonjs/servers/plugin-state/index.js --working-folder ./build/state --port 1339",
"preversion": "npm run test",
"version": "npm run rebuild && cpx .npmignore lib/",
"postversion": "git push && git push --tags",
"build:dirac": "node ./scripts/build.mjs -a dirac --prd && node -e \"require('fs').cpSync('src/app.frontend.facets.molstar-rdkit.editable/assets/rdkit', 'build/dirac/assets/rdkit', {recursive: true})\"",
"build:motif-workbench": "node ./scripts/build-discovery-lab.mjs --prd",
"build:discovery-lab": "npm run build:motif-workbench",
"prebuild:dirac": "npm run check:css && npm run hci:check",
"hci:generate": "node scripts/generate-human-interface-contract.mjs",
"hci:check": "node scripts/generate-human-interface-contract.mjs --check && node scripts/verify-human-interface-contract.mjs",
"check:css": "node scripts/check_css_braces.mjs src/app.frontend.facets.molstar-rdkit.editable/index.html",
"twin": "python3 scripts/build_digital_twin.py",
"twin:check": "python3 scripts/check_digital_twin.py",
"twin:watch": "node scripts/watch_digital_twin.mjs",
"prebuild": "npm run check:css"
},
"files": [
"lib/",
"build/viewer/",
"build/mvs-stories/"
],
"bin": {
"cif2bcif": "lib/commonjs/cli/cif2bcif/index.js",
"cifschema": "lib/commonjs/cli/cifschema/index.js",
"mvs-validate": "lib/commonjs/cli/mvs/mvs-validate.js",
"mvs-render": "lib/commonjs/cli/mvs/mvs-render.js",
"mvs-print-schema": "lib/commonjs/cli/mvs/mvs-print-schema.js",
"model-server": "lib/commonjs/servers/model/server.js",
"model-server-query": "lib/commonjs/servers/model/query.js",
"model-server-preprocess": "lib/commonjs/servers/model/preprocess.js",
"volume-server": "lib/commonjs/servers/volume/server.js",
"volume-server-query": "lib/commonjs/servers/volume/query.js",
"volume-server-pack": "lib/commonjs/servers/volume/pack.js"
},
"nodemonConfig": {
"ignoreRoot": [
"./node_modules",
".git"
],
"ignore": [],
"delay": 2500
},
"jest": {
"moduleFileExtensions": [
"ts",
"js"
],
"transform": {
"\\.ts$": [
"esbuild-jest-transform",
{
"tsconfigRaw": "{\"compilerOptions\":{\"useDefineForClassFields\":false}}"
}
]
},
"moduleDirectories": [
"node_modules",
"lib"
],
"testEnvironmentOptions": {
"url": "http://localhost/"
},
"testRegex": "\\.spec\\.ts$"
},
"author": "Ivan Rakamazov <252053809+ivanicu@users.noreply.github.com>",
"license": "MIT",
"devDependencies": {
"@rdkit/rdkit": "^2025.3.4-1.0.0",
"@types/cors": "^2.8.19",
"@types/gl": "^6.0.5",
"@types/jest": "^30.0.0",
"@types/pngjs": "^6.0.5",
"@types/react": "^18.3.31",
"@types/react-dom": "^18.3.7",
"@types/three": "^0.185.4",
"@types/webxr": "^0.5.24",
"@typescript-eslint/eslint-plugin": "^8.64.0",
"@typescript-eslint/parser": "^8.64.0",
"benchmark": "^2.1.4",
"concurrently": "^10.0.3",
"cpx2": "^9.0.0",
"css-loader": "^7.1.4",
"esbuild": "^0.28.1",
"esbuild-jest-transform": "^2.0.1",
"esbuild-sass-plugin": "^3.7.0",
"eslint": "^10.7.0",
"fs-extra": "^11.3.6",
"globals": "^17.7.0",
"http-server": "^14.1.1",
"jest": "^30.4.2",
"jpeg-js": "^0.4.4",
"react": "^18.3.1",
"react-dom": "^18.3.1",
"sass": "^1.101.0",
"simple-git": "^3.36.0",
"tsc-alias": "^1.9.1",
"typescript": "^6.0.3"
},
"dependencies": {
"@types/argparse": "^2.0.17",
"@types/benchmark": "^2.1.5",
"@types/compression": "1.8.1",
"@types/express": "^5.0.6",
"@types/node": "^22.20.1",
"@types/swagger-ui-dist": "3.30.6",
"argparse": "^2.0.1",
"compression": "^1.8.1",
"cors": "^2.8.6",
"cytoscape": "^3.34.1",
"echarts": "^6.1.0",
"express": "^5.2.1",
"frappe-gantt": "^1.2.2",
"h264-mp4-encoder": "^1.0.12",
"immutable": "^5.1.9",
"io-ts": "^2.2.22",
"mutative": "^1.3.0",
"react-markdown": "^10.1.0",
"remark-gfm": "^4.0.1",
"rxjs": "^7.8.2",
"swagger-ui-dist": "^5.32.9",
"three": "^0.185.1",
"tslib": "^2.8.1"
},
"peerDependencies": {
"@google-cloud/storage": "^7.14.0",
"canvas": "^2.11.2",
"gl": "^6.0.2",
"jpeg-js": "^0.4.4",
"pngjs": "^6.0.0",
"react": ">=16.14.0",
"react-dom": ">=16.14.0"
},
"peerDependenciesMeta": {
"@google-cloud/storage": {
"optional": true
},
"canvas": {
"optional": true
},
"gl": {
"optional": true
},
"jpeg-js": {
"optional": true
},
"pngjs": {
"optional": true
}
}
}