Search Results for author:
Found 3 papers, 0 papers with code
CACTUS: Chemistry Agent Connecting Tool-Usage to Science
We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions.
Scaffold-Based Multi-Objective Drug Candidate Optimization
In therapeutic design, balancing various physiochemical properties is crucial for molecule development, similar to how Multiparameter Optimization (MPO) evaluates multiple variables to meet a primary goal.
De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning
Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery.
Cannot find the paper you are looking for? You can
Submit a new open access paper.
