From aba7a0bcbac1aab1f7ed0988cc7d268308244220 Mon Sep 17 00:00:00 2001 From: Matteo Degiacomi Date: Mon, 3 Jun 2024 15:45:51 +0100 Subject: [PATCH] Update README.md --- examples/README.md | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/examples/README.md b/examples/README.md index 8cf2250..68ea172 100644 --- a/examples/README.md +++ b/examples/README.md @@ -25,6 +25,10 @@ In `xbb_foldingnet_checkpoints`, an example output generated when the *foldingne ## Scripts +#### Data preparation examples + +* `prepare_example.py`: an example on how to combine two trajectories in a single dataset that can be used as training examples for *molearn* models. + #### Training examples * `bb_foldingnet_basic.py`: minimal example demonstrating how to load data, setup *foldingnet*, and train it. This script operates on training examples in the `data` folder and can be executed as-is (after the multiPDB files are extracted). This script will generate output similar to that provided in the folder `xbb_foldingnet_checkpoints`.