3 papers
cs.LG2026
MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery
Maksim Kuznetsov, Zulfat Miftahutdinov, Rim Shayakhmetov +17
General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks…
cs.LG2024
nach0-pc: Multi-task Language Model with Molecular Point Cloud Encoder
Maksim Kuznetsov, Airat Valiev, Alex Aliper +4
Recent advancements have integrated Language Models (LMs) into a drug discovery pipeline. However, existing models mostly work with SMILES and SELFIES chemical string representatio…
cs.CL2024
nach0: Multimodal Natural and Chemical Languages Foundation Model
Micha Livne, Zulfat Miftahutdinov, Elena Tutubalina +8
Large Language Models (LLMs) have substantially driven scientific progress in various domains, and many papers have demonstrated their ability to tackle complex problems with creat…