Our paper on ice nucleation using first principles MD simulations driven by an ML model just appeared online in PNAS. 300,000 atoms with ab initio accuracy! Thanks Swiss National Science Foundation DOE Office of Science CSI CCSC DeepModeling PLUMED for making this possible. pnas.org/doi/full/10.10…

AI for Science in action. intelli-science.com/p/exclusive-be…. DeepModeling UC Berkeley

We are excited to be hosting the first AI for Science Salon & Workshop in Hong Kong in CB-A, Chow Yei Ching Building, Main Campus, the University of Hong Kong, May 24-25, 2023. Click to know more: deepmodeling.typeform.com/hku-may2023

It is online the new paper showing the new features implemented in the last years in DeePMD-kit!! DeePMD-kit v2: A software package for deep potential models pubs.aip.org/aip/jcp/articl…

DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…

DeepModeling launches the OpenLAM Initiative to "conquer the Periodic Table". deepmodeling.com/blog/openlam/

very happy to see the deepmd-cp2k interface land!😃 In the summer of 2019, I wrote the first version but never tried to merge into the cp2k repository. Thanks Yunpei for the following works in refactoring the plugin and pr to the cp2k repository. github.com/cp2k/cp2k/pull…

DeepModeling posted OpenLAM 2024 Q0 report: deepmodeling.com/blog/openlam-2…

We just released the first alpha version of DeePMD-kit v3, bringing a multiple-backend platform, the PyTorch backend, and the support for large atomic models. github.com/deepmodeling/d…

Excited to share that Uni-Mol has joined the DeepModeling community! 🚀 Our 3D molecular representation framework is revolutionizing molecular design. Check out our GitHub for more details and to contribute: github.com/deepmodeling/U… #unimol #deepmodeling #opensource

🚀 We're thrilled to launch the #OpenLAM initiative! 🌟 With the new DPA-2 model, we're ready to "Conquer the Periodic Table". Join us in this exciting journey! Learn more: aissquare.com/openlam #DeepPotential #opensource #DeepModeling

🚀 Exciting news! DeePMD-kit v3 (v3.0.0a0) is here! Train models on TensorFlow & PyTorch. New PyTorch backend supports large atomic models with the DPA-2 model. Fully Python-based for easy dev & debugging. Thanks to all contributors! Learn more & download: github.com/deepmodeling/d…

Exciting News! 🚀 We're thrilled to announce ABACUS v3.7.0, packed with major updates! Explore the new features and join the conversation! github.com/deepmodeling/a…

Excited about this research! Dr. Jianchuan Liu & team developed ML interatomic potential models for 19 Group IIB-VIA semiconductors using ABACUS & DeePMD-kit. Amazing work! Check out their article and models/datasets: #MachineLearning #DFT #ABACUS #DeePMD doi.org/10.1021/acs.jc…

🔧 The DeepModeling community developed Dflow, a Python toolkit for building workflows. Key features please check: github.com/deepmodeling/d… #deepmodeling d flow @ai4s Open Source

🧬 Exciting news! Researchers Xi Cheng, Liuqing Wen, and Dingyan Wang introduced DeepGlycanSite, a deep learning model for accurate carbohydrate-binding site prediction on proteins. nature.com/articles/s4146… #deepmodeling #unimol #opensource

🚀Machine learning potential model was generated for the Pt-TiO2 system using DeePMD-kit. This model studies the effect of atomic isolation walls on catalyst stability and illustrates noble metal particle sintering on TiO2-supported Pt particles. doi.org/10.1016/j.jcat…

🚀 New Insights from DeePMD-kit! 🚀 Check out the latest Nature Chemistry article where DeePMD-kit reveals a dual-gated mechanism of proton transport in water, advancing our understanding of this vital process. 🔗 Read more: doi.org/10.1038/s41557… #DeepModeling #DeePMD #AI4S

Can ML simulate carbon nanotube growth? 🧬🚀 Discover how the new DeepCNT-22 force field, based on DeePMD, enables precise large-scale simulations. Learn more about this breakthrough in nanomaterials! doi.org/10.1038/s41467…