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2,652 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...
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An integrated computational workflow that combines enhanced sampling techniques and machine learning collective variables to identify druggable conformations of the AR-NTD and elucidate the binding mechanism of its modulator, EPI-002 is introduced.
ChatGPT histories should not be treated as clinical screening data but as evidence LLMs are increasingly used as informal support infrastructure, which is private, persistent, responsive, and available outside ordinary hours.
A current high-capability model can be used as the user-facing component of an automated, multi-stage workflow serving an explicitly manipulative objective, and this result exposes a compositional safety gap.
Archival Summary Package: Cyber-Biological Synchronization and Behavioral Vector Injection (BVI) Title: Cyber-Biological Synchronization and Behavioral Vector Injection (BVI): Axiomatic Foundations, Topo-Information Dynamics, and Radix 00–32 Systemic Homeostasis Authors: Kasiulevicius, Egidijus; Kasiulevicius, Azuolas;...
Visual impairments affect upwards of 2.2 billion people worldwide. As AI systems increasingly support navigation for people with visual impairments, how uncertainty is communicated becomes critical. Prior work shows that communicating uncertainty can improve trust calibration and decision-making, yet it remains underex...
Tier 3 (direct effect forecast) entry to the Silicon Sample Benchmark from team_15. We predict all 208 average treatment effects (16 message interventions x 13 preregistered outcomes) of a sealed ~18,000-person US megastudy on trust in climate scientists, blind and before any human data were released. The approach uses...
Abstract: General-purpose probabilistic programming makes Bayesian data analysis broadly accessible, but its computational cost can become prohibitive as model dimension grows. The R package hobbs (High dimensiOnal Bayesian omniBus Sampler) is a probabilistic programming language and system designed to make high-dimens...
Agent Skills are reusable packages of procedural knowledge that augment large language model (LLM) agents at inference time. Educational agents are a natural target for such augmentation, because high-quality teaching behavior depends not only on factual knowledge but also on procedures for diagnosing misconceptions, s...
A Blog post by Ai2 on Hugging Face
A Blog post by IBM Research on Hugging Face
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
A Blog post by IBM Granite on Hugging Face
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
We’re on a journey to advance and democratize artificial intelligence through open source and open science.
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