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Found 9 papers, 8 papers with code
Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences
While Transformers have yielded impressive results, their quadratic runtime dependency on the sequence length complicates their use for long genomic sequences and in-context learning on proteins and chemical sequences.
Re-evaluating Retrosynthesis Algorithms with Syntheseus
Automated Synthesis Planning has recently re-emerged as a research area at the intersection of chemistry and machine learning.
Context-enriched molecule representations improve few-shot drug discovery
Our novel concept for molecule representation enrichment is to associate molecules from both the support set and the query set with a large set of reference (context) molecules through a Modern Hopfield Network.
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
Activity and property prediction models are the central workhorses in drug discovery and materials sciences, but currently they have to be trained or fine-tuned for new tasks.
Supervised machine learning classification for short straddles on the S&P500
In this working paper we present our current progress in the training of machine learning models to execute short option strategies on the S&P500.
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks
Finding synthesis routes for molecules of interest is essential in the discovery of new drugs and materials.
Ranked #28 on
Single-step retrosynthesis
on USPTO-50k
Modern Hopfield Networks for Few- and Zero-Shot Reaction Template Prediction
Finding synthesis routes for molecules of interest is an essential step in the discovery of new drugs and materials.
Hopfield Networks is All You Need
The new update rule is equivalent to the attention mechanism used in transformers.
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networks
Due to the current severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, there is an urgent need for novel therapies and drugs.
