Saved in:
| Main Authors: | Bran, Andres M, Xie, Tong, Pranesh, Shai, Meng, Jeffrey, Nguyen, Xuan Vu, Goumaz, Jeremy, Segura, David Ming, Xu, Ruizhi, Zhou, Dongzhan, Zhang, Wenjie, Hoex, Bram, Schwaller, Philippe |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.21231 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations
by: Guilbert, Salomé, et al.
Published: (2025)
by: Guilbert, Salomé, et al.
Published: (2025)
From Tokens to Materials: Leveraging Language Models for Scientific Discovery
by: Wan, Yuwei, et al.
Published: (2024)
by: Wan, Yuwei, et al.
Published: (2024)
Synthelite: Chemist-aligned and feasibility-aware synthesis planning with LLMs
by: Xuan-Vu, Nguyen, et al.
Published: (2025)
by: Xuan-Vu, Nguyen, et al.
Published: (2025)
ByteScience: Bridging Unstructured Scientific Literature and Structured Data with Auto Fine-tuned Large Language Model in Token Granularity
by: Xie, Tong, et al.
Published: (2024)
by: Xie, Tong, et al.
Published: (2024)
AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025)
by: Lv, Taoyuze, et al.
Published: (2025)
SynthStrategy: Extracting and Formalizing Latent Strategic Insights from LLMs in Organic Chemistry
by: Armstrong, Daniel, et al.
Published: (2025)
by: Armstrong, Daniel, et al.
Published: (2025)
Chemical reasoning in LLMs unlocks strategy-aware synthesis planning and reaction mechanism elucidation
by: Bran, Andres M, et al.
Published: (2025)
by: Bran, Andres M, et al.
Published: (2025)
DARWIN 1.5: Large Language Models as Materials Science Adapted Learners
by: Xie, Tong, et al.
Published: (2024)
by: Xie, Tong, et al.
Published: (2024)
Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI
by: Zhang, Sha, et al.
Published: (2025)
by: Zhang, Sha, et al.
Published: (2025)
TempRe: Template generation for single and direct multi-step retrosynthesis
by: Xuan-Vu, Nguyen, et al.
Published: (2025)
by: Xuan-Vu, Nguyen, et al.
Published: (2025)
Open-Source Fermionic Neural Networks with Ionic Charge Initialization
by: Pranesh, Shai, et al.
Published: (2024)
by: Pranesh, Shai, et al.
Published: (2024)
Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model
by: Ye, Yanpeng, et al.
Published: (2024)
by: Ye, Yanpeng, et al.
Published: (2024)
SciQAG: A Framework for Auto-Generated Science Question Answering Dataset with Fine-grained Evaluation
by: Wan, Yuwei, et al.
Published: (2024)
by: Wan, Yuwei, et al.
Published: (2024)
DrugMCTS: a drug repurposing framework combining multi-agent, RAG and Monte Carlo Tree Search
by: Yang, Zerui, et al.
Published: (2025)
by: Yang, Zerui, et al.
Published: (2025)
Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation
by: Guo, Jeff, et al.
Published: (2024)
by: Guo, Jeff, et al.
Published: (2024)
Drift-React: One-step Generation of Reaction Pathways via SE(3) Drifting Fields
by: Schlama, Rémi, et al.
Published: (2026)
by: Schlama, Rémi, et al.
Published: (2026)
Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models
by: Guo, Jeff, et al.
Published: (2024)
by: Guo, Jeff, et al.
Published: (2024)
Lookup multivariate Kolmogorov-Arnold Networks
by: Pozdnyakov, Sergey, et al.
Published: (2025)
by: Pozdnyakov, Sergey, et al.
Published: (2025)
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design
by: Guo, Jeff, et al.
Published: (2023)
by: Guo, Jeff, et al.
Published: (2023)
It Takes Two to Tango: Directly Optimizing for Constrained Synthesizability in Generative Molecular Design
by: Guo, Jeff, et al.
Published: (2024)
by: Guo, Jeff, et al.
Published: (2024)
Molecular Machine Learning in Chemical Process Design
by: Rittig, Jan G., et al.
Published: (2025)
by: Rittig, Jan G., et al.
Published: (2025)
Interactively visualizing biological multilayer networks using MiRA
by: Nehoray, Shir Miryam, et al.
Published: (2026)
by: Nehoray, Shir Miryam, et al.
Published: (2026)
BIONIX: A Wireless, Low-Cost Prosthetic Arm with Dual-Signal EEG and EMG Control
by: Kumar, Pranesh Sathish
Published: (2025)
by: Kumar, Pranesh Sathish
Published: (2025)
Generative Molecular Design with Steerable and Granular Synthesizability Control
by: Guo, Jeff, et al.
Published: (2025)
by: Guo, Jeff, et al.
Published: (2025)
Swarm Intelligence for Chemical Reaction Optimisation
by: Schlama, Rémi, et al.
Published: (2025)
by: Schlama, Rémi, et al.
Published: (2025)
The impact of social media on polarization in the society
by: Pranesh, Samana, et al.
Published: (2024)
by: Pranesh, Samana, et al.
Published: (2024)
Recent Advances of Radical Reactions for Synthesis of Functionalized Heterocycles from Alkyne‐Tethered Cyclohexadienones and Indoles: An Overview
by: Pranesh Pal, et al.
Published: (2025)
by: Pranesh Pal, et al.
Published: (2025)
Gradient Guided Hypotheses: A unified solution to enable machine learning models on scarce and noisy data regimes
by: Neves, Paulo, et al.
Published: (2024)
by: Neves, Paulo, et al.
Published: (2024)
FSscore: A Machine Learning-based Synthetic Feasibility Score Leveraging Human Expertise
by: Neeser, Rebecca M., et al.
Published: (2023)
by: Neeser, Rebecca M., et al.
Published: (2023)
Large language models as uncertainty-calibrated optimizers for experimental discovery
by: Ranković, Bojana, et al.
Published: (2025)
by: Ranković, Bojana, et al.
Published: (2025)
Teaching Language Models Mechanistic Explainability Through MechSMILES
by: Neukomm, Théo A., et al.
Published: (2025)
by: Neukomm, Théo A., et al.
Published: (2025)
CMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard
by: Oliver Tobias Schilter, et al.
Published: (2024)
by: Oliver Tobias Schilter, et al.
Published: (2024)
Valuation Struggles: Rethinking the Economy in Times of Crisis
by: Corinne Schwaller
Published: (2020)
by: Corinne Schwaller
Published: (2020)
LLM-Augmented Chemical Synthesis and Design Decision Programs
by: Wang, Haorui, et al.
Published: (2025)
by: Wang, Haorui, et al.
Published: (2025)
Beyond Legal Rights: Understanding Mental Health and Autonomy in Criminal Self‐Representation
by: Shai Farber
Published: (2025)
by: Shai Farber
Published: (2025)
MiRAGE: Misconception Detection with Retrieval-Guided Multi-Stage Reasoning and Ensemble Fusion
by: Van Duc, Cuong, et al.
Published: (2025)
by: Van Duc, Cuong, et al.
Published: (2025)
30 años de la Constitución Política de Colombia Análisis y perspectivas
by: Lemy Bran
Published: (2023)
by: Lemy Bran
Published: (2023)
Tango*: Constrained synthesis planning using chemically informed value functions
by: Armstrong, Daniel, et al.
Published: (2024)
by: Armstrong, Daniel, et al.
Published: (2024)
Is This Collection Worth My LLM's Time? Automatically Measuring Information Potential in Text Corpora
by: Karch, Tristan, et al.
Published: (2025)
by: Karch, Tristan, et al.
Published: (2025)
Accelerating inverse materials design using generative diffusion models with reinforcement learning
by: Chen, Junwu, et al.
Published: (2025)
by: Chen, Junwu, et al.
Published: (2025)
Similar Items
-
DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations
by: Guilbert, Salomé, et al.
Published: (2025) -
From Tokens to Materials: Leveraging Language Models for Scientific Discovery
by: Wan, Yuwei, et al.
Published: (2024) -
Synthelite: Chemist-aligned and feasibility-aware synthesis planning with LLMs
by: Xuan-Vu, Nguyen, et al.
Published: (2025) -
ByteScience: Bridging Unstructured Scientific Literature and Structured Data with Auto Fine-tuned Large Language Model in Token Granularity
by: Xie, Tong, et al.
Published: (2024) -
AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025)