MathAgent: Multi-Agent Optimization of Mathematical Invariants for Molecular Property Prediction
q-bio.BM
Submitted: 2026-10-02
Updated: 2026-10-02
Code: https://github.com/yren24/MathAgent
License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Sources
- ReAct: Synergizing Reasoning and Acting in Language Models
- AutoGen: Enabling Next-Gen LLM Applications via Multi-Agent Conversation
- MLAgentBench: Evaluating Language Agents on Machine Learning Experimentation
- DS-Agent: Automated Data Science by Empowering Large Language Models with Case-Based Reasoning
- The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery
- MAP-Graph: Provenance-Aware Shared Memory for Multi-Agent Workflows
- EA-Graph: Artifact-Anchored Verification Memory for Coding Agents under Upstream Drift
- PETLS: PErsistent Topological Laplacian Software
- ATOM3D: Tasks On Molecules in Three Dimensions
- Protein-ligand binding representation learning from fine-grained interactions
- Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching
- Learning Hierarchical Protein Representations via Complete 3D Graph Networks
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction
Related papers
- Speak to a Protein: An Interactive Multimodal Co-Scientist
- Learning Topological Representations of Protein Structure and Dynamics
- p2smi: A Python Toolkit for Peptide FASTA-to-SMILES Conversion and Molecular Property Analysis
- UNAAGI: Atom-Level Diffusion for Generating Non-Canonical Amino Acid Substitutions
- Co-folding with a Soup of Representations
- Non-Markovain Quantum State Diffusion for the Tunneling in SARS-COVID-19 virus