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cheminformania.com
I like chemistry, computers and drug discovery. Sometimes blogs about cheminformatics, ML and neural networks for chemistry at cheminformania.com. Open source fanatic and science preprinter.
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🚀 Scikit-Mol Update: Better Documentation, Smoother Contributions! 📚 Thanks to the amazing work of Anton Siomchen, our documentation is now easier to access and navigate! Explore the updated docs here: 👉 scikit-mol.readthedocs.io/en/latest/ #ScikitMol #Chemoinformatics #MachineLearning

submitted 7 days ago • 1 comment

The new #RDKit blog post demonstrates how to easily save molecular structures to PNG and SVG files and retrieve them later. greglandrum.github.io/rdkit-blog/p...

submitted 14 days ago • 0 comments

🚀 Speed up your Illustrator workflow & save hours! I tested manual vs. automated workflows: 🕒 Manual: 56:39 ⏳ ⚡ Automated: 12:21 🚀 🎥 Watch the video & see the difference! Join my FREE 4-week course on Illustrator automation! 👉 programs.productivista.com/pack #AdobeIllustrator #Automation #Design

submitted 18 days ago • 0 comments

Automate Your Packaging Workflow in Illustrator Repetitive tasks in Illustrator? No thanks. Learn to automate labels, hangtags & packaging design—no coding needed! ✨ Join my free 4-week course & work smarter. ➡️ programs.productivista.com/pack #AdobeIllustrator #Automation #GraphicDesign

submitted 19 days ago • 0 comments

1/6 🚀 Scikit-Mol 0.4.6 is Here! 🚀 We’re excited to announce the release of Scikit-Mol 0.4.6. A huge thank you to @Anton Sionchem for contributing to this update! #Scikit-Mol #OpenSource #Python #RDKit #Scikit-Learn

submitted 25 days ago • 1 comment

🚀 Excited to share updates to RDEditor! Thanks to open-source contributions, we’ve made big strides in molecule visualization & stereo chemistry. Huge shoutout to Jack Day for the meticulous work! 👏 pypi.org/project/rded...

submitted 43 days ago • 1 comment

🎉 Excited to announce the release of Scikit-Mol 0.4.5! Big thanks to Anton Siomchen for contributing two amazing PRs that bring bug fixes, robustness improvements, and under-the-hood enhancements. 🧪 #Chemoinformatics #MachineLearning

submitted 50 days ago • 1 comment

The first #RDKit blog post of the year is a short one showing how to change the ways atoms and bonds are represented in fingerprints. greglandrum.github.io/rdkit-blog/p...

submitted 50 days ago • 2 comments

2024 Reflections This year was full of challenges and growth. Losing my job was tough, but it became a catalyst for creativity and collaboration. Here's what I accomplished in numbers: 🚪 1 job lost 🤝 3 consulting contracts 🧪 4 preprints + 1 journal paper 💻 2 new OSS projects #Growth #Innovation

submitted 60 days ago • 1 comment

Started with a scripting jam, ended with a burst of creativity! 🎇 I used ChatGPT for scripts, MATE for sparkles, and GIFStudio to create this New Year’s GIF. Experimenting with AI, recorded actions, and extensions made it quick and fun. Happy New Year! 🎉 #Scripting #AI #GIFMaking #HappyNewYear

submitted 62 days ago • 0 comments

🎄New Christmas Preprint: RandomNets🎄 Efficient ensemble neural networks for QSAR/QSPR! ✅ 25% boost in prediction performance ✅ Trains 25 implicit networks in ~2x the time of one ✅ Provides uncertainty estimates Preprint: chemrxiv.org/engage/chemr...

submitted 64 days ago • 3 comments

❄️ The Christmas release is here! ❄️ Introducing scikit-learn 1.6 with: 🟢 2 major features & 34 improvements 🔵 5 efficiency boosts & 21 enhancements 🟡 14 API changes 🔴 30 fixes 👥 160 amazing contributors youtu.be/7wiHChpwJe8

submitted 71 days ago • 0 comments

Just another helpful reminder that a human being on a bicycle is the most efficient amongst all animals and machines in terms of energy consumed in moving a certain distance as a function of body weight. Obvs.

submitted 83 days ago • 108 comments