# Providing an OCaml interface to RDKit
**URL:** https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780
**Category:** Community
**Tags:** comp-chem, open-source, chemoinformatics
**Created:** [June 13, 2024, 1:14am UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780 "2024-06-13T01:14:00Z")
**Posts on this page:** 5
**Page:** 1
### Author:  [@UnixJunkie](https://discuss.ocaml.org/u/UnixJunkie)
#### Post date: [June 13, 2024, 1:14am UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780/1 "2024-06-13T01:14:00Z")
Hello.
An open-source project idea.
Currently, there is a javascript interface to rdkit:
> **[GitHub - rdkit/rdkit: The official sources for the RDKit library](https://github.com/rdkit/rdkit)**
>
> The official sources for the RDKit library. Contribute to rdkit/rdkit development by creating an account on GitHub.
RDKit is the leading open-source library for chemoinformatics and computational chemistry.
CF.
[https://rdkit.org/](https://rdkit.org/)
and
[https://www.rdkit.org/docs/index.html](https://www.rdkit.org/docs/index.html)
I think an OCaml interface would be pretty useful.
If someone is interested, let me know.
Maybe we could apply to GSoC next year.
I could mentor this project and code review for it.
I suspect the way to go would be to provide bindings to the mini rdkit C library
that the javascript bindings are targeting.
A second step would be to provide a high-level OCaml interface w/ nice
organization of modules and strong functional programing flavor.
Regards,
Francois.
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### Author:  [@UnixJunkie](https://discuss.ocaml.org/u/UnixJunkie)
#### Post date: [June 13, 2024, 4:50am UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780/2 "2024-06-13T04:50:18Z")
Maybe @scemama might be interested or know some people who would be interested into contributing
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### Author:  [@scemama](https://discuss.ocaml.org/u/scemama)
#### Post date: [June 13, 2024, 8:29am UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780/3 "2024-06-13T08:29:34Z")
Hi!
it is a bit too far away from my research topic (benzene is for me a large molecule!).
But I found that people have started to make a rust interface: [GitHub - rdkit-rs/rdkit: RDKit Made Idiomatic for Rust](https://github.com/rdkit-rs/rdkit/tree/main)
It could be useful to see how that have done it.
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### Author:  [@OChemist](https://discuss.ocaml.org/u/OChemist)
#### Post date: [March 23, 2026, 4:29pm UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780/4 "2026-03-23T16:29:36Z")
Nearly two years later but has the needle moved on this at all? I currently have an OCaml project that will need to use RDKit. I was going to implement this as foreign function interfaces but a fully fledged OCaml library would be very nice.
I had the idea for this myself then I found this thread. Unfortunately, I won’t have time to develop this project myself at present, unless I move it along really slowly.
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### Author:  [@UnixJunkie](https://discuss.ocaml.org/u/UnixJunkie)
#### Post date: [June 22, 2026, 10:30am UTC](https://discuss.ocaml.org/t/providing-an-ocaml-interface-to-rdkit/14780/6 "2026-06-22T10:30:04Z")
I am still interested by that, sorry I just saw your message this week-end.