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Account age
1 yrs
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9 views
CDK 2.12 was released: https://doi.org/10.5281/zenodo.18850648
The release notes are here: https://github.com/cdk/cdk/releases/tag/cdk-2.12
One new feature is support for atropisomers, see the screenshot
#openscience #cheminformatics
8 views
nice new R-group SMILES enumeration feature in the upcoming JChemPaint release, see https://github.com/JChemPaint/jchempaint/pull/225
#openscience #chemistry
3 views
Impact of our articles (and part of that of our source code; not every citation is an article where the CDK is used), according to OpenAlex. About 75 citations per year, totalling to 1716. And note how often those articles are cited. https://edu.nl/ja7wa
📊 Post engagement
6
Avg engagement / post
12%
Engagement vs followers
Dec 2024
On Mastodon since
🔥 Top post: this week, 25 years ago, @steinbeck, @egonw, and @gezelter came · 14 likes + reposts
📊 Activity & format
Posting cadence
0.22 / week
A lower-frequency account — each post lands with more weight.
Content mix
Mostly text
Recent: 9 text · 3 image · 0 video.
Follower / following
5.6×
Follows 9 back. A strong ratio — an audience that follows them, not a follow-for-follow network.
Recent posts
View on Mastodon ↗
Post CDK 2.12, the iordf module is in a separate Git repository: https://github.com/cdk/cdk-iordf
CDK 2.12 was released: https://doi.org/10.5281/zenodo.18850648
The release notes are here: https://github.com/cdk/cdk/releases/tag/cdk-2.12
One new feature is support for atropisomers, see the screenshot
#openscience #cheminformatics
oh goodies...
BChemXtract, the new @BeilsteinInstitut ChemDraw parser and structure extractor, uses CDK 2.11
<properties>
<cdk.version>2.11</cdk.version>
</properties>
https://hessen.social/@BeilsteinInstitut/115497448450303612
#cheminformatics #chemi…
@dalke released chemfp 5.0, a Python package for cheminformatics fingerprint generation, search, and analysis, with support for CDK fingerprints
You can install it on Linux-based OSes using:
python -m pip install chemfp -i https://chem…
nice new R-group SMILES enumeration feature in the upcoming JChemPaint release, see https://github.com/JChemPaint/jchempaint/pull/225
#openscience #chemistry
Impact of our articles (and part of that of our source code; not every citation is an article where the CDK is used), according to OpenAlex. About 75 citations per year, totalling to 1716. And note how often those articles are cited. https…
John release CDK 2.11, a quick bug fix release: https://doi.org/10.5281/zenodo.15105090 https://github.com/cdk/cdk/releases/tag/cdk-2.11
In "The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom’s law" https://doi.org/10.1016/j.drudis.2025.104341
"however, software such as PaDEL and the Chemistry Development Kit (CDK) have emerged rapidly as free and …
Jonas Schaub: "Last week, I presented my work on algorithmic substructure extraction (scaffolds, functional groups, and aglycones) at the Chemistry Development Kit User Group Meeting (#CDK25UGM) in Maastricht.
You can now find my slides on…
preview:
flatpak install --user https://dl.flathub.org/build-repo/169405/io.github.jchempaint.JChemPaint.flatpakref
CDK 2.12 was released: https://doi.org/10.5281/zenodo.18850648
The release notes are here: https://github.com/cdk/cdk/releases/tag/cdk-2.12
One new feature is support for atropisomers, see the screenshot
#openscience #cheminformatics
oh goodies...
BChemXtract, the new @BeilsteinInstitut ChemDraw parser and structure extractor, uses CDK 2.11
<properties>
<cdk.version>2.11</cdk.version>
</properties>
https://hessen.social/@BeilsteinInstitut/115497448450303612
#cheminformatics #chemi…
@dalke released chemfp 5.0, a Python package for cheminformatics fingerprint generation, search, and analysis, with support for CDK fingerprints
You can install it on Linux-based OSes using:
python -m pip install chemfp -i https://chem…
nice new R-group SMILES enumeration feature in the upcoming JChemPaint release, see https://github.com/JChemPaint/jchempaint/pull/225
#openscience #chemistry
Impact of our articles (and part of that of our source code; not every citation is an article where the CDK is used), according to OpenAlex. About 75 citations per year, totalling to 1716. And note how often those articles are cited. https…
John release CDK 2.11, a quick bug fix release: https://doi.org/10.5281/zenodo.15105090 https://github.com/cdk/cdk/releases/tag/cdk-2.11
In "The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom’s law" https://doi.org/10.1016/j.drudis.2025.104341
"however, software such as PaDEL and the Chemistry Development Kit (CDK) have emerged rapidly as free and …
Jonas Schaub: "Last week, I presented my work on algorithmic substructure extraction (scaffolds, functional groups, and aglycones) at the Chemistry Development Kit User Group Meeting (#CDK25UGM) in Maastricht.
You can now find my slides on…
preview:
flatpak install --user https://dl.flathub.org/build-repo/169405/io.github.jchempaint.JChemPaint.flatpakref
🐘 Community & instance
Home server
fosstodon.org
A open-source software server — its members and audience skew toward that niche, so expect a community-aligned, engaged following.
✅ Link-verified
Verified link
Proved ownership of a website linked on their profile — Mastodon's green-check verification, a real identity signal rather than a paid badge.
On Mastodon since
Dec 2024
An established account with real history on the platform.
💡 Facts
🗓️Joined Mastodon in 2024 — 1 year ago.
👁️Averages 6 views per post.
📤Posts about 0.2× per week.
🕵️ Fake follower check
Estimated84/100
Excellent
Credibility score
95%
Real
Real audience
Low
Fake-follower risk
High
Data confidence
- Est. 95% real, active audience · Low fake-follower risk.
- Strong engagement (~0.1× of followers engage each post) — an active, real audience.
- Verified account.
Heuristic estimate from engagement, follower ratios, account age & growth — a screening signal, not a guarantee.
About
Cheminformatics toolkit written in Java and started in September 2000, which can be used in Groovy, Python, and other languages too.
📸 Gallery
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EstimatedEstimated shared audience with similar creators — useful for avoiding overlap (or doubling down) when planning a campaign.
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