I have been coding in Python for 8 years now.⏳ Here are 7️⃣ amazing Python libraries not known to many...👇

Argentina entrando en su Loquito Libertario Fascistoide Era

Machine Learning for Chemistry: Basics and Applications sciencedirect.com/science/articl…

Sci Hub is a "pirate" website with 88M research papers freely available. Using it is not advisable. We should all try to make billion-dollar acdemic publishers richer. Here's a thread on integrating Zotero with Sci Hub to get free articles. PLEASE DON'T DO THIS 😉

A Gentle Introduction to Machine Learning for Chemists pubs.acs.org/doi/10.1021/ac………… ri.conicet.gov.ar/bitstream/hand………… #chemistry #bioinformatics #MachineLearning #ArtificialIntelligence

nature.com/articles/s4158…

[1/N] Generative AI has revolutionized how we create text and images. How about designing novel materials? We at Microsoft Research #AI4Science are thrilled to announce MatterGen: our generative model that enables broad property-guided materials design. 👇 arxiv.org/abs/2312.03687

How LLMs work, clearly explained:

Roses are red Violets are blue Better than #DFT Is DFT+U ❤️ Happy Valentine’s Day, CompChemists

Certainly, it passed through peer review process.... #ChatGPT Check it yourself sciencedirect.com/science/articl… #chemtwitter #PhDvoice #Reviewer2

Ojalá solo fuera un meme. 🥲

This is the most surprising and exciting result of my career: we were running simulations of NaCl with a neural network potential that implicitly accounts for the effect of the water, ie a continuum solvent model (trained on normal MD) when Junji noticed something strange: 1/n

I'm excited to share that my latest paper on Frustrated Lewis Pairs (FLP) has been published! In this study, we explored FLPs in metal-free catalysis. doi.org/10.1021/acs.jc…

A whole bunch of new open research artifacts from Meta. Models, datasets, and code.

🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨 #compchem #ML

Proud to share this article by my wife. Very important work on Solid state batteries! pubs.acs.org/doi/full/10.10…

📢 Postdoc Opportunity Alert! 📢 🖥️ Passionate about Machine Learning & Quantum Chemistry? 🎓Our Research Group at Augusta University is hiring a Postdoctoral Fellow to develop cutting-edge ML methods for predicting electronic densities. Apply now ⬇️

Upcycling Poly(vinyl chloride) and Polystyrene Plastics Using Photothermal Conversion | Journal of the American Chemical Society Princeton University Princeton Chemistry Stache Lab pubs.acs.org/doi/10.1021/ja…

Rechazamos categóricamente la calumnia que hace la Casa Blanca al Gobierno de México de tener alianzas con organizaciones criminales, así como cualquier intención injerencista en nuestro territorio. Si en algún lugar existe tal alianza es en las armerías de los Estados Unidos

Today we release TorchSim, a next-generation PyTorch-native atomistic simulation engine for the MLIP era. Our hope is that this open-source package ignites a materials simulation revolution.