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authored 2 papers about 11 hours ago

Agentic reinforcement learning empowers next-generation chemical language models for molecular design and synthesis

Paper • 2601.17687 • Published Jan 25

From Static Structures to Ensembles: Studying and Harnessing Protein Structure Tokenization

Paper • 2511.10056 • Published Nov 13, 2025

updated 2 collections about 12 hours ago

ChemReason

Collection

Reasoning dataset for Chemistry Domain • 5 items • Updated about 12 hours ago

PRESTO

Collection

PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes • 4 items • Updated about 12 hours ago

published 2 models about 12 hours ago

IDEA-AI4S/mol-vicuna-7b-v1.5-uspto_tpl-sft

Updated Apr 18, 2024

IDEA-AI4S/mol-vicuna-7b-v1.5-all-lora-ep5

Updated May 10, 2024

published a dataset about 12 hours ago

IDEA-AI4S/rxn_mech

Updated Apr 2, 2025

updated a dataset about 1 month ago

IDEA-AI4S/ChemCoTDataset

Viewer • Updated about 1 month ago • 28.3k • 153 • 9

published a dataset about 1 month ago

IDEA-AI4S/chemreason_retro

Preview • Updated Apr 9, 2025 • 10

updated a dataset 3 months ago

IDEA-AI4S/ChemCoTBench

Viewer • Updated Nov 24, 2025 • 1.5k • 717 • 10

updated a dataset 5 months ago

IDEA-AI4S/DD100

Viewer • Updated Oct 11, 2025 • 93 • 7

authored 8 papers 5 months ago

ChatCounselor: A Large Language Models for Mental Health Support

Paper • 2309.15461 • Published Sep 27, 2023 • 1

Leveraging Side Information for Ligand Conformation Generation using Diffusion-Based Approaches

Paper • 2309.16684 • Published Aug 2, 2023

InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery

Paper • 2311.16208 • Published Nov 27, 2023

detrex: Benchmarking Detection Transformers

Paper • 2306.07265 • Published Jun 12, 2023

MoleculeQA: A Dataset to Evaluate Factual Accuracy in Molecular Comprehension

Paper • 2403.08192 • Published Mar 13, 2024

Exploring Vision Transformers as Diffusion Learners

Paper • 2212.13771 • Published Dec 28, 2022

PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes

Paper • 2406.13193 • Published Jun 19, 2024

Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations

Paper • 2505.21318 • Published May 27, 2025 • 1