Essays about: "Chemformer"

Found 2 essays containing the word Chemformer.

1. 1. Evaluating and optimizing Transformer models for predicting chemical reactions

   University essay from Göteborgs universitet/Institutionen för data- och informationsteknik

   Author : Siva Manohar Koki; Supriya Kancharla; [2023-10-23]
   Keywords : Chemformer; transformer; evaluation; explainable AI; fine-tuning; machine learning;

   Abstract : In this thesis, we assess the effectiveness of a transformer model specifically trained to predict chemical reactions. The model, named Chemformer, is a sequence-tosequence model that uses the transformer’s encoder and decoder stacks. READ MORE

3. 2. Siamese Neural Networks for Regression: Similarity-BasedPairing and Uncertainty Quantification

   University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

   Author : Yumeng Zhang; [2022]
   Keywords : ;

   Abstract : Here we present a similarity-based pairing method for generating compound pairs to train a Siamese Neural Network. In comparison with the conventional exhaustive pairing of N2/2 pairs (N being the sizeof the training set), this method results in N-1 pairs, significantly reducing the training time. READ MORE