structured JSON atom/molecule encoding scheme
Project description
stjames
STructured JSON Atom/Molecule Encoding Scheme
This is the Rowan schema for passing molecule/calculation data back and forth between different parts of the software.
This is not intended to be run as a standalone library: it's basically just a big composite Pydantic model which does some validation and intelligent default selection. (A benefit of doing validation on the client side is that it's transparent to the end user—you can see all of the settings that the calculation will use.)
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file stjames-0.0.172.tar.gz.
File metadata
- Download URL: stjames-0.0.172.tar.gz
- Upload date:
- Size: 109.5 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.11.2 {"installer":{"name":"uv","version":"0.11.2","subcommand":["publish"]},"python":null,"implementation":{"name":null,"version":null},"distro":{"name":"Ubuntu","version":"24.04","id":"noble","libc":null},"system":{"name":null,"release":null},"cpu":null,"openssl_version":null,"setuptools_version":null,"rustc_version":null,"ci":true}
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
b7898165b2e8a0e36100415bc471531c8498483f6d5c55c755b5d5f3a34ee0ed
|
|
| MD5 |
a4961b113724f99c48af04260e8e945d
|
|
| BLAKE2b-256 |
a009428c81116ffac9a417c30c571b1659ffc50697bd34543e0d09ebc017d841
|
File details
Details for the file stjames-0.0.172-py3-none-any.whl.
File metadata
- Download URL: stjames-0.0.172-py3-none-any.whl
- Upload date:
- Size: 126.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: uv/0.11.2 {"installer":{"name":"uv","version":"0.11.2","subcommand":["publish"]},"python":null,"implementation":{"name":null,"version":null},"distro":{"name":"Ubuntu","version":"24.04","id":"noble","libc":null},"system":{"name":null,"release":null},"cpu":null,"openssl_version":null,"setuptools_version":null,"rustc_version":null,"ci":true}
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
7a14980ba22d04569b95467a817a814b508ff972a6ab45d0f492de4d590976d3
|
|
| MD5 |
35f705c9e56383757f2d346e9ea77bd9
|
|
| BLAKE2b-256 |
6a05a85c0536eeb8cd3e91ad86c57cbfaf3da0c03d3157def1527aecf194c732
|
