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2 changes: 1 addition & 1 deletion docs/available_software/data/json_data.json

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2 changes: 1 addition & 1 deletion docs/available_software/data/json_data_detail.json

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3 changes: 2 additions & 1 deletion docs/available_software/detail/Boost.Python.md
Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,7 @@ json_ld:
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''Boost.Python/1.83.0-GCC-13.2.0'']'
softwareVersion: '[''Boost.Python/1.82.0-GCC-12.3.0'', ''Boost.Python/1.83.0-GCC-13.2.0'']'
url: https://boostorg.github.io/python
---

Expand All @@ -52,3 +52,4 @@ module load Boost.Python/1.83.0-GCC-13.2.0
| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|Boost.Python/1.83.0-GCC-13.2.0|x|x|x|x|x|x|x|x|x|x|x|x|x|x|
|Boost.Python/1.82.0-GCC-12.3.0|x|x|x|x|x|x|x|x|x|x|x|x|x|x|
54 changes: 54 additions & 0 deletions docs/available_software/detail/RDKit.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,54 @@
---
hide:
- toc
json_ld:
'@context': https://schema.org
'@type': SoftwareApplication
applicationCategory: DeveloperApplication
description: RDKit is a collection of cheminformatics and machine-learning software
written in C++ and Python.
license: Not confirmed
name: RDKit
offers:
'@type': Offer
price: 0
operatingSystem: LINUX
review:
'@type': Review
author:
'@type': Organization
name: EESSI
reviewBody: Application has been successfully made available on all architectures
supported by EESSI
reviewRating:
'@type': Rating
ratingValue: 5
softwareRequirements: See https://www.eessi.io/docs/ for how to make EESSI available
on your system
softwareVersion: '[''RDKit/2024.03.3-foss-2023a'']'
url: https://www.rdkit.org
---

RDKit
=====


RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.

https://www.rdkit.org
# Available modules


The overview below shows which RDKit installations are available per target architecture in EESSI, ordered based on software version (new to old).

To start using RDKit, load one of these modules using a `module load` command like:

```shell
module load RDKit/2024.03.3-foss-2023a
```

*(This data was automatically generated on {{ generated_time }})*

| |aarch64/generic|aarch64/a64fx|aarch64/neoverse_n1|aarch64/neoverse_v1|aarch64/nvidia/grace|x86_64/generic|x86_64/amd/zen2|x86_64/amd/zen3|x86_64/amd/zen4|x86_64/intel/cascadelake|x86_64/intel/haswell|x86_64/intel/icelake|x86_64/intel/sapphirerapids|x86_64/intel/skylake_avx512|
| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
|RDKit/2024.03.3-foss-2023a|x|x|x|x|x|x|x|x|x|x|x|x|x|x|
2 changes: 1 addition & 1 deletion mkdocs.yml
Original file line number Diff line number Diff line change
Expand Up @@ -206,7 +206,7 @@ extra:
- icon: fontawesome/brands/twitter
link: https://twitter.com/eessi_hpc
# this gets auto-updated via update_generated_time.sh script run in update_available_software.yml action
generated_time: "Fri, 26 Dec 2025 at 02:14:02 UTC"
generated_time: "Mon, 26 Jan 2026 at 13:15:51 UTC"
slack_invite_url: "https://join.slack.com/t/eessi-hpc/shared_invite/zt-2wg10p26d-m_CnRB89xQq3zk9qxf1k3g"
extra_javascript:
# mermaid diagram
Expand Down