From 6ec7b7d81e935fe8f5b93adf1118d21d54a8e029 Mon Sep 17 00:00:00 2001 From: root Date: Thu, 10 Oct 2024 17:04:15 +0800 Subject: [PATCH] update tools descrtipt --- README.md | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 113ab08..50bba30 100644 --- a/README.md +++ b/README.md @@ -80,4 +80,12 @@ Model saved to 3d_qsar_multi-layer_perceptron_model.pkl --- unimol qsar {'mse': 59.72037918598548, 'mae': 5.179289798987539, 'pearsonr': 0.638764928149331, 'spearmanr': 0.6006870492749102, 'r2': 0.35928715315601223} -``` \ No newline at end of file +``` + +## [deepMD-kit](https://docs.deepmodeling.com/projects/deepmd/en/master/index.html) + +## [notebookLM](https://notebooklm.google.com/) + +## [pytorch code](https://nn.labml.ai/zh/diffusion/ddpm/index.html) + +## [3D-QSAR tutorial](https://bohrium.dp.tech/notebooks/1032) \ No newline at end of file