From e5deab623ccc13e9aec8941badb5fbb98129fbf4 Mon Sep 17 00:00:00 2001 From: Toshihiko Yanase Date: Wed, 16 Oct 2024 09:48:45 +0900 Subject: [PATCH] Add a link to molecule llm notebook. --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 7d90a4e8..855bf245 100644 --- a/README.md +++ b/README.md @@ -31,7 +31,7 @@ if __name__ == "__main__": > [FAQ](https://optuna.readthedocs.io/en/stable/faq.html) might be helpful for you to implement what you want. > In this example repository, you can also find the examples for the following scenarios: > 1. [Objective function with additional arguments](./sklearn/sklearn_additional_args.py), which is useful when you would like to pass arguments besides `trial` to your objective function. -> +> > 2. [Manually provide trials with sampler](./faq/enqueue_trial.py), which is useful when you would like to force certain parameters to be sampled. > > 3. [Callback to control the termination criterion of study](./faq/max_trials_callback.py), which is useful when you would like to define your own termination criterion other than `n_trials` or `timeout`. @@ -169,6 +169,7 @@ If you are interested in defining a user-defined sampler, here is an example: * [PyKEEN](https://github.com/pykeen/pykeen) * [RL Baselines Zoo](https://github.com/DLR-RM/rl-baselines3-zoo) * [Hyperparameter Optimization for Machine Learning, Code Repository for Online Course](https://github.com/solegalli/hyperparameter-optimization) +* [Property-guided molecular optimization using MolMIM with CMA-ES](https://github.com/olachinkei/BioNeMo_WandB/blob/main/Molecule/03_Molecule_LLM.ipynb) > [!IMPORTANT]