[ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaorui Shi*, An Zhang, Sihang Li, Enzhi Zhang, Xiang Wang, Kenji Kawaguchi, Tat-Seng Chua
☆28Sep 3, 2024Updated last year
Alternatives and similar repositories for ReactXT
Users that are interested in ReactXT are comparing it to the libraries listed below
Sorting:
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆12Dec 27, 2023Updated 2 years ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆40Mar 16, 2024Updated last year
- Source code of "Training Free Graph Neural Networks for Graph Matching"☆13Jul 9, 2022Updated 3 years ago
- ☆15Feb 26, 2025Updated last year
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆18Jun 7, 2025Updated 8 months ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆84Feb 25, 2024Updated 2 years ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆22Mar 7, 2025Updated 11 months ago
- This repository contains a reaction condition selector.☆14Mar 19, 2025Updated 11 months ago
- Look Back to Reason Forward: Revisitable Memory for Long-Context LLM Agents☆23Feb 21, 2026Updated last week
- PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]☆28Nov 18, 2024Updated last year
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆91Feb 9, 2026Updated 3 weeks ago
- Official Implementation (Pytorch) of the "LLaMo: Large Language Model-based Molecular Graph Assistant", NeurIPS 2024☆33Feb 12, 2025Updated last year
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆38Oct 10, 2024Updated last year
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 3 years ago
- The official source code for "Vision Language Model is NOT All You Need: Augmentation Strategies for Molecule Language Model".☆14Jul 23, 2024Updated last year
- ☆26Sep 9, 2025Updated 5 months ago
- ☆15Nov 4, 2024Updated last year
- ☆20Dec 17, 2025Updated 2 months ago
- Structured Chemistry Reasoning with Large Language Models☆39May 4, 2024Updated last year
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated 9 months ago
- A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations https://academic.oup.com/bioinformatics/ar…☆25Jul 19, 2024Updated last year
- [ICLR 2026] The implementation of paper "AlphaSteer: Learning Refusal Steering with Principled Null-Space Constraint"☆41Nov 20, 2025Updated 3 months ago
- Official implementation for "ALI-Agent: Assessing LLMs'Alignment with Human Values via Agent-based Evaluation"☆21Jan 31, 2026Updated last month
- Official code of "Invariant Collaborative Filtering to Popularity Distribution Shift" (2023 WWW)☆21Jul 27, 2023Updated 2 years ago
- ☆22Aug 1, 2023Updated 2 years ago
- ☆23Dec 4, 2024Updated last year
- A quantitative benchmark and analysis of molecular large language models.☆18Jun 3, 2025Updated 9 months ago
- Ratioanle-aware Graph Contrastive Learning codebase☆44Jun 15, 2023Updated 2 years ago
- Python Package for electrochemical analysis☆26Apr 28, 2025Updated 10 months ago
- Dandelion - Codes for automated and efficient sampling of chemical reaction space for MLIP training☆23Mar 7, 2025Updated 11 months ago
- [NeurIPS 2024] Official code of $\beta$-DPO: Direct Preference Optimization with Dynamic $\beta$☆50Oct 23, 2024Updated last year
- [ICLR 2025 Oral 🏆] The implementation of paper "Language Representations Can be What Recommenders Need: Findings and Potentials"☆98May 16, 2025Updated 9 months ago
- Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Profession…☆90Sep 6, 2023Updated 2 years ago
- Predictive Chemistry Augmented with Text Retrieval☆24Feb 20, 2024Updated 2 years ago
- ☆35Jul 10, 2025Updated 7 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆27Jul 2, 2024Updated last year
- ☆34Dec 2, 2025Updated 3 months ago
- ☆25May 29, 2025Updated 9 months ago