That's great. (You can tell I have been elsewhere for several years!). I've
now switched to Python for about 4-5 years and wondered if there was
demand.
At heart CML is a structured ontology/knowledge graph and it doesn't matter
whether it's Java or Python (or possibly JS), and whether it's XML or
There’s already a chemical JSON, inspired by CML. It’s used by Avogadro and has
support in OpenBabel. Several computational packages also support it.
https://github.com/OpenChemistry/chemicaljson
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-017-0241-z
If you have suggestions or ide
Thx
the content of simple CML documents can probably be translated/moved to
JSON fairly easily. There are a few XML constructs which probably no-one
uses such as or processing instructions and could be
obsoleted. The ability to interact with other XML languages (MathML, SVG)
is more serious. Can J
I am fine with Java (and can use the CDK and other Java tools in Python).
But CML (Core) in JSON and/or JSON-LD and/or YAML could be interesting.
Egon
On Tue, 29 Jul 2025 at 16:17, Peter Murray-Rust via Blueobelisk-discuss <
blueobelisk-discuss@lists.sourceforge.net> wrote:
> Is there a need (o
Is there a need (or desire) for a Python implementation of CML? (Or does it
already exist?) . Given today's tools (such as Cursor) it should be fairly
easy to implement the current schema and CML-XOM in Python. In particular
if there are conformance tests in Java or other languages that's a strong
