DeepModeling
@DeepModeling
Define the future of scientific computing together
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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…
🚀 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
🚀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…
🧬 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
🔧 The DeepModeling community developed Dflow, a Python toolkit for building workflows. Key features please check: github.com/deepmodeling/d… #deepmodeling @dflow @ai4s @opensource
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…
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…
🚀 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…
🚀 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
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 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…
AI for Science in action. intelli-science.com/p/exclusive-be…. @DeepModeling @UCBerkeley
DeepModeling posted OpenLAM 2024 Q0 report: deepmodeling.com/blog/openlam-2…
DeepModeling launches the OpenLAM Initiative to "conquer the Periodic Table". deepmodeling.com/blog/openlam/
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…
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…
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
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 @snsf_ch @doescience @CcscCsi @DeepModeling @plumed_org for making this possible. pnas.org/doi/full/10.10…
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