Category
3,822 papers
ERAM aligns pre-trained molecular representations from Protein Language Model with the knowledge of enzyme catalysis by modeling enzymatic reactions as multi-relational data, and demonstrates its potential as a versatile and effective tool for enzyme catalysis research.
This study introduces LaMGen, an LLM-powered framework that leverages large-scale protein-ligand data and rotation-aware molecular encoding to rapidly produce chemically plausible multi-target candidates, achieving strong zero-shot generalization, superior molecular quality, and robust performance across dual- and trip...
The Biotoxins Database (BioTD) is the largest open-source database for toxins, offering open access to 14,607 data records (8,185 activity records), covering 8,975 toxins sourced from 5,220 references and patents across over 900 species.
BBBP-Atlas is proposed, a structure-aware BBB permeability prediction model designed for unified modeling of small molecules and peptides with the first cross-modal dataset OmniBBBP, which offers a versatile and cross-modal approach for single-compound prediction, batch screening, and dataset exploration for CNS drug d...
Reach audiences
Advertise in front of researchers, engineers, and readers.
While LLM-based multi-agent systems show potential for large-scale software development, successful integration requires addressing challenges such as memory limitations, hallucinations, and code smells, alongside a practitioner-centric perspective.
The proposed LLM-based multi-agent system automates qualitative data analysis process, creating opportunities for researchers and practitioners, and future improvements focus on enhancing multilingual performance and integrating continuous expert feedback.
This work designs and operationalizes a governance-aware, multi-tenant AI sandbox that supports structured experimentation and produces reusable evaluation evidence across stakeholders and yields lessons learned and practical considerations that inform deployment and future evolution of governance-aware sandbox platfor...
This work presents the design and implementation of a governance-aware, multi-tenant AI sandbox for structured experimentation and the generation of reusable evaluation evidence across projects and stakeholder groups.
A Multi-Vocal Literature Review is conducted, combining insights from both academia and industry, including peer-reviewed studies and grey literature to systematically synthesize and analyze existing knowledge on LLM-based multi-agent systems for code generation.
This study provides the first large-scale empirical comparison of agentic frameworks for reasoning-intensive software engineering tasks and shows that framework selection should prioritize orchestration quality, especially memory control, failure handling, and cost management.
The vision is to leverage the capabilities of multiple GPT agents to contribute to SE tasks and to propose an initial road map for future work, arguing that multiple G PT agents can perform creative and demanding tasks far beyond coding and debugging.
A machine-learning approach called CheMeleon provides a practical way to develop new drugs or other molecules with much less detailed, expensive experimentation.
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
Health & Bioscience
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
Data Mining & Modeling
We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.
