diff --git a/README.md b/README.md index c2ffa73..f655b0a 100644 --- a/README.md +++ b/README.md @@ -57,11 +57,11 @@ Documentation of Uni-Mol tools is available at https://unimol.readthedocs.io/en/ Uni-Mol Docking V2: Towards realistic and accurate binding pose prediction -------------------------------------------------------------------- -[![arXiv](https://img.shields.io/badge/arXiv-2405.11769-00ff00.svg)](https://arxiv.org/abs/2405.11769) ![Static Badge](https://img.shields.io/badge/Bohrium_Apps-Uni--Mol_Docking_V2-blue?link=https%3A%2F%2Fbohrium.dp.tech%2Fapps%2Funimoldockingv2) +[![arXiv](https://img.shields.io/badge/arXiv-2405.11769-00ff00.svg)](https://arxiv.org/abs/2405.11769) [![Static Badge](https://img.shields.io/badge/Bohrium_Apps-Uni--Mol_Docking_V2-blue)](https://bohrium.dp.tech/apps/unimoldockingv2) -

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Uni-Mol Docking V2 Bohrium App Interface

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Uni-Mol Docking V2 Bohrium App

We update Uni-Mol Docking to Uni-Mol Docking V2, which demonstrates a remarkable improvement in performance, accurately predicting the binding poses of 77+% of ligands in the PoseBusters benchmark with an RMSD value of less than 2.0 Å, and 75+\% passing all quality checks. This represents a significant increase from the 62% achieved by the previous Uni-Mol Docking model. Notably, our Uni-Mol Docking approach generates chemically accurate predictions, circumventing issues such as chirality inversions and steric clashes that have plagued previous ML models. diff --git a/unimol_docking_v2/figure/bohrium_app.gif b/unimol_docking_v2/figure/bohrium_app.gif new file mode 100644 index 0000000..4fafe57 Binary files /dev/null and b/unimol_docking_v2/figure/bohrium_app.gif differ diff --git a/unimol_docking_v2/figure/bohrium_app.png b/unimol_docking_v2/figure/bohrium_app.png deleted file mode 100644 index a1f3437..0000000 Binary files a/unimol_docking_v2/figure/bohrium_app.png and /dev/null differ