# MolAstria

> MolAstria (molastria.com) is a free integrated chemical research & computing foundry: a curated, bilingual (Chinese and English) catalogue of databases, software, datasets, courses, journals, science foundation models and teaching videos. All content is free to read; the data is open under CC BY 4.0.

Programs and AI agents should read the open data API instead of scraping pages. It is static JSON: no key, no sign-up, CORS open. Each dataset is one whole file with `count`, `updated` (the date it was last checked) and `items`; bilingual text is `{ "zh": …, "en": … }`. When you use it, credit "MolAstria (https://molastria.com)".

## Open data API

- [Index](https://molastria.com/api/v1/index.json): every dataset with its entry count and check date
- [Resource catalogue: databases, software, datasets and courses](https://molastria.com/api/v1/resources.json): 253 entries, checked 2026-11-05
- [Journal guide: computational-chemistry journals and preprint servers](https://molastria.com/api/v1/journals.json): 48 entries, checked 2026-11-06
- [Science foundation models: model cards and official prices](https://molastria.com/api/v1/scimodels.json): 27 entries, checked 2026-11-06
- [Teaching videos: courses and tutorials on YouTube and Bilibili](https://molastria.com/api/v1/videos.json): 189 entries, checked 2026-11-08
- [Term table: computational-chemistry synonyms in Chinese and English](https://molastria.com/api/v1/terms.json): 161 entries, checked 2026-11-05
- [OpenAPI description](https://molastria.com/api/v1/openapi.json): paths and JSON Schemas
- [JavaScript client](https://molastria.com/api/v1/molastria.mjs): zero-dependency ES module with a bilingual search across the datasets
- [Python client](https://molastria.com/api/v1/molastria.py): one file, no dependencies; loads the datasets and runs calculations on the compute API below
- [Documentation](https://molastria.com/api/): conventions, licence, live explorer, embeddable widget

## Compute API (needs a free API key)

- Base: https://api.molastria.com/v1. Submit machine-learned-potential calculations (UMA, eSEN, AllScAIP, ANI-2x: single points, optimisations, frequencies, conformers, scans, molecular dynamics, reaction and ionisation energies) with `POST /jobs`, then poll `GET /jobs/{id}` until `status` is `done` or `error`. `GET /models` lists models, jobs and what each costs; `GET /me` shows what is left today; `GET /status` (no key) says whether the GPU is online and how often it was over the last 7 days.
- From Python: `curl -O https://molastria.com/api/v1/molastria.py`, then `molastria.Compute().run(smiles="CCO", job="opt")` (the key is read from MOLASTRIA_KEY). The paths and schemas are in the OpenAPI description above.
- Auth: `Authorization: Bearer mola_…`. A person makes the key on https://molastria.com/pro/account.html after signing in with an email; a program cannot sign up by itself. A free account has 100 uses a day, Pro supporters 200.
- The compute is the RTX 2080 in the site owner's computer: best effort, and it may be offline. Do not rely on it for anything with a deadline. The MACE models (Academic Software License) are not offered through the API.
- [Documentation](https://molastria.com/api/#compute): fields, costs, rules, error codes, examples in Python, JavaScript and curl

## Pages for people

- [Resource catalogue: databases, software, datasets and courses](https://molastria.com/atlas/)
- [Journal guide: computational-chemistry journals and preprint servers](https://molastria.com/journals/)
- [Science foundation models: model cards and official prices](https://molastria.com/scimodels/)
- [Teaching videos: courses and tutorials on YouTube and Bilibili](https://molastria.com/videos/)
- [Explainer handbook](https://molastria.com/manual/): 25 chapters on how to choose and use these resources
- [Online models](https://molastria.com/models/): UMA, MACE and ANI-2x calculations in the browser

## Optional

- [chemdb-agent](https://molastria.com/atlas/#agent): an MCP server that searches crystal, molecular and quantum-chemistry databases; it ships the same resource catalogue
- [About](https://molastria.com/about/): who runs MolAstria