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*AdvancedManufacturing* is a sequence-based molecular generator tuned to generate catalysts for the Suzuki cross-coupling. The model relies on a Variational Autoencoder with a binding-energy predictor trained on the latent space. The framework uses Gaussian Processes for generating targeted molecules. The model was trained on 7054 Catalysts provided by | |
[Meyer et al.](https://doi.org/10.1039/C8SC01949E). | |
For **examples** and **documentation** of the model parameters, please see below. | |
Moreover, we provide a **model card** ([Mitchell et al. (2019)](https://dl.acm.org/doi/abs/10.1145/3287560.3287596?casa_token=XD4eHiE2cRUAAAAA:NL11gMa1hGPOUKTAbtXnbVQBDBbjxwcjGECF_i-WC_3g1aBgU1Hbz_f2b4kI_m1in-w__1ztGeHnwHs)) at the bottom of this page. | |