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kohulanr.bsky.social
Kohulan Rajan
@kohulanr.bsky.social
25 followers 17 following 9 posts
Computational Chemist 🧪 specializing in AI-driven cheminformatics, Data Mining & deep learning. Lead @ DECIMER.ai. Part-time photographer 📸, poet 🖋, and digital music maker 🎵. 🇱🇰 roots 🌍 Currently in Jena, Germany Explore more: kohulanr.com
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · 15d
Our new paper now 🎉 Published: Cheminformatics Microservice V3!

Paper: doi.org/10.1186/s133...

🛠️ Web app + API: RDKit, CDK, Open Babel — NO install, 100% open-source.

Try now: app.naturalproducts.net

#Cheminformatics #OpenScience #Innovation #CompChem #Opensource
Cheminformatics Microservices UI
Cheminformatics Microservices UI - A modern interface for chemical data analysis
app.naturalproducts.net
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Jul 25
Great 👍
kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Jul 24
@baoilleach.bsky.social This could be something interesting for your team ?
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Jul 24
New Preprint Alert!

We're happy to share our new work, MARCUS! #ChemRxiv

This is a web platform for extracting chemical information from scientific papers.

📄 Preprint: doi.org/10.26434/che...

🔗 Try it out: marcus.decimer.ai

#AIinScience #Opensource #ResearchTools #Cheminformatics #OpenScience
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Jun 6
🚨 NEW: Cheminformatics Microservice V3!

✨ Features: RDKit/CDK/OpenBabel integration, interactive structure editor, PubChem access & more

📄 Preprint: doi.org/10.26434/che...
🌐 Try it: app.naturalproducts.net

#Cheminformatics #Opensource #compchem
Cheminformatics Microservices UI
Cheminformatics Microservices UI - A modern interface for chemical data analysis
app.naturalproducts.net
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Reposted by Kohulan Rajan
greglandrum.bsky.social
Greg Landrum @greglandrum.bsky.social · Mar 2
For people concerned about this, @macinchem.bsky.social has written a blog post on how to create and work with a local mirror of the PubChem Compound data.
macinchem.org/2025/02/17/s...
Searching a local copy of PubChem – Macs in Chemistry
macinchem.org
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Feb 28
🚀 The International Workshop on Open Molecular Informatics (IWOMI) returns!

Join us May 12-16, 2025, to explore curating open molecular data with multimodal LLMs. IWOMI is a small, interactive workshop on open data.

📝 Register: iwomi.net/?page_id=1123

#IWOMI2025 #OpenScience #LLM #OpenSource
International Workshop on Open Molecular Informatics (IWOMI) – Getting things done for open science
iwomi.net
kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Feb 12
It usually takes me 10-20 minutes to find a movie I haven't seen and want to watch on one of the many streaming platforms I pay for (too many!).

That’s why I made www.whichmovieto.watch

✅ Instantly find the perfect movie
📍 Geo-location-based recommendations
#Opensource
github.com/Kohulan/Whic...
Which Movie To Watch - Find Your Next Movie
Discover your next favorite movie! Get personalized movie recommendations based on your streaming services and preferences. Free and paid movie suggestions available.
www.whichmovieto.watch
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kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Dec 29
🎄Christmas Release: Ending the year with one last paper from our team 🎄

STOUT V2.0: SMILES to IUPAC name conversion using transformer models

Paper: doi.org/10.1186/s133...
Web application: stout.decimer.ai

#OpenScience #ResearchTools #DrugDiscovery #OpenSource #Chemistry #AI #IUPAC #STOUTV2
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
kohulanr.bsky.social
Kohulan Rajan @kohulanr.bsky.social · Nov 28
Just started an account here and announcing our new paper!

Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.

paper: doi.org/10.1093/nar/...

#NaturalProducts #OpenScience #ResearchTools #DrugDiscovery #OpenSource #COCONUT2 #compchem #database
COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database
Abstract. The COCONUT (COlleCtion of Open Natural prodUcTs) database was launched in 2021 as an aggregation of openly available natural product datasets an
doi.org
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