Identification of Knowledge Neurons in Protein Language Models

no code implementations • 17 Dec 2023 • Divya Nori, Shivali Singireddy, Marina Ten Have

After fine-tuning the ESM model for the task of enzyme sequence classification, we compare two knowledge neuron selection methods that preserve a subset of neurons from the original model.

Evaluating Zero-Shot Scoring for In Vitro Antibody Binding Prediction with Experimental Validation

no code implementations • 7 Dec 2023 • Divya Nori, Simon V. Mathis, Amir Shanehsazzadeh

The success of therapeutic antibodies relies on their ability to selectively bind antigens.

De novo PROTAC design using graph-based deep generative models

1 code implementation • 4 Nov 2022 • Divya Nori, Connor W. Coley, Rocío Mercado

After fine-tuning, predicted activity against a challenging POI increases from 50% to >80% with near-perfect chemical validity for sampled compounds, suggesting this is a promising approach for the optimization of large, PROTAC-like molecules for targeted protein degradation.

Reinforcement Learning (RL)