🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

We’re reopening applications! A 5-year position as Data Steward/Research Engineer for the chemistry departments of Université PSL is available. 💼 New deadline: February 7th. 📄 More info & application details below. 🔁 Retweets appreciated! 🙌 #chempostdoc

How do target definition, data distribution, and featurization impact graph-based deep learning models for thermodynamics? In BowenDeng first paper , we uncover key insights for universal, accurate predictions by focusing on 5 diverse datasets. Read more: pubs.acs.org/doi/full/10.10…

Now out in JCTC: Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning JCIM & JCTC Journals Javier Alfonso pubs.acs.org/doi/full/10.10…

Graph-Based Deep Learning Models for Thermodynamic Property Prediction: The Interplay between Target Definition, Data Distribution, Featurization, and Model Architecture pubs.acs.org/doi/10.1021/ac… BowenDeng Thijs Stuyver CTM Group #JCIM Vol65 Issue2 #MachineLearning #DeepLearning