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Original file line number Diff line number Diff line change @@ -25,7 +25,7 @@ json_ld:
2525 ratingValue : 5
2626 softwareRequirements : See https://www.eessi.io/docs/ for how to make EESSI available
2727 on your system
28- softwareVersion : ' ['' Boost.Python/1.83.0-GCC-13.2.0'' ]'
28+ softwareVersion : ' ['' Boost.Python/1.82.0-GCC-12.3.0 '' , '' Boost.Python/1. 83.0-GCC-13.2.0'' ]'
2929 url : https://boostorg.github.io/python
3030---
3131
@@ -52,3 +52,4 @@ module load Boost.Python/1.83.0-GCC-13.2.0
5252| | 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|
5353| :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
5454| Boost.Python/1.83.0-GCC-13.2.0| x| x| x| x| x| x| x| x| x| x| x| x| x| x|
55+ | Boost.Python/1.82.0-GCC-12.3.0| x| x| x| x| x| x| x| x| x| x| x| x| x| x|
Original file line number Diff line number Diff line change 1+ ---
2+ hide :
3+ - toc
4+ json_ld :
5+ ' @context ' : https://schema.org
6+ ' @type ' : SoftwareApplication
7+ applicationCategory : DeveloperApplication
8+ description : RDKit is a collection of cheminformatics and machine-learning software
9+ written in C++ and Python.
10+ license : Not confirmed
11+ name : RDKit
12+ offers :
13+ ' @type ' : Offer
14+ price : 0
15+ operatingSystem : LINUX
16+ review :
17+ ' @type ' : Review
18+ author :
19+ ' @type ' : Organization
20+ name : EESSI
21+ reviewBody : Application has been successfully made available on all architectures
22+ supported by EESSI
23+ reviewRating :
24+ ' @type ' : Rating
25+ ratingValue : 5
26+ softwareRequirements : See https://www.eessi.io/docs/ for how to make EESSI available
27+ on your system
28+ softwareVersion : ' ['' RDKit/2024.03.3-foss-2023a'' ]'
29+ url : https://www.rdkit.org
30+ ---
31+
32+ RDKit
33+ =====
34+
35+
36+ RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
37+
38+ https://www.rdkit.org
39+ # Available modules
40+
41+
42+ The overview below shows which RDKit installations are available per target architecture in EESSI, ordered based on software version (new to old).
43+
44+ To start using RDKit, load one of these modules using a ` module load ` command like:
45+
46+ ``` shell
47+ module load RDKit/2024.03.3-foss-2023a
48+ ```
49+
50+ * (This data was automatically generated on {{ generated_time }})*
51+
52+ | | 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|
53+ | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: | :---: |
54+ | RDKit/2024.03.3-foss-2023a| x| x| x| x| x| x| x| x| x| x| x| x| x| x|
Original file line number Diff line number Diff line change @@ -206,7 +206,7 @@ extra:
206206 - icon : fontawesome/brands/twitter
207207 link : https://twitter.com/eessi_hpc
208208 # this gets auto-updated via update_generated_time.sh script run in update_available_software.yml action
209- generated_time : " Fri , 26 Dec 2025 at 02:14:02 UTC"
209+ generated_time : " Mon , 26 Jan 2026 at 13:15:51 UTC"
210210 slack_invite_url : " https://join.slack.com/t/eessi-hpc/shared_invite/zt-2wg10p26d-m_CnRB89xQq3zk9qxf1k3g"
211211extra_javascript :
212212 # mermaid diagram
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