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AspirinCode authored Apr 30, 2024
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Expand Up @@ -42,7 +42,7 @@ related to **Generative AI** and **Deep Learning** for **molecular/drug design
| Menu | Menu |
| ------ | ------ |
| [Benchmark for Molecular Conformer Ensembles](#benchmark-for-molecular-conformer-ensembles) | [Reviews for Molecular Conformation Generation](#reviews-for-molecular-conformation-generation) |
| [VAE-based Molecular Conformation Generation](#vae-based-molecular-conformation-generation) | |
| [VAE-based Molecular Conformation Generation](#vae-based-molecular-conformation-generation) | [GAN-based Molecular Conformation Generation](#gan-based-molecular-conformation-generation) |
| [Energy-based Molecular Conformation Generation](#energy-based-molecular-conformation-generation) | |
| [Diffusion-based Molecular Conformation Generation](#diffusion-based-molecular-conformation-generation) | |
| [RL-based Molecular Conformation Generation](#rl-based-molecular-conformation-generation) | |
Expand Down Expand Up @@ -407,6 +407,8 @@ Zhu, Yanqiao, Jeehyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Y
### VAE-based Molecular Conformation Generation




* **Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes** [2023]
Haohao Fu, Han Liu, Jingya Xing, Tong Zhao, Xueguang Shao, and Wensheng Cai.
[J. Phys. Chem. B (2023)](https://doi.org/10.1021/acs.jpcb.3c05284)
Expand All @@ -420,6 +422,26 @@ Xu, Minkai, Wujie Wang, Shitong Luo, Chence Shi, Yoshua Bengio, Rafael Gomez-Bom



### GAN-based Molecular Conformation Generation








* **Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes** [2024]
Kuznetsov, Maksim, Fedor Ryabov, Roman Schutski, Rim Shayakhmetov, Yen-Chu Lin, Alex Aliper, and Daniil Polykovskiy.
[J. Chem. Inf. Model. (2024)](https://doi.org/10.1021/acs.jcim.3c00989) | [code](https://github.com/insilicomedicine/COSMIC)









### Energy-based Molecular Conformation Generation

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