[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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Feb 26, 2025Updated last year
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆84Feb 25, 2024Updated 2 years ago
- Source code of "Training Free Graph Neural Networks for Graph Matching"☆12Jul 9, 2022Updated 3 years ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆44Aug 28, 2025Updated 6 months ago
- This repository contains a reaction condition selector.☆15Mar 19, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Official code repo for the paper "ChemToolAgent: The Impact of Tools on Language Agents for Chemistry Problem Solving" (previously "Tooli…☆19Jun 7, 2025Updated 9 months ago
- Look Back to Reason Forward: Revisitable Memory for Long-Context LLM Agents☆27Mar 9, 2026Updated 2 weeks ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- 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.☆90Feb 9, 2026Updated last month
- [ICLR 2026] The implementation of paper "AlphaSteer: Learning Refusal Steering with Principled Null-Space Constraint"☆46Nov 20, 2025Updated 4 months ago
- [NeurIPS 2024] Official code of $\beta$-DPO: Direct Preference Optimization with Dynamic $\beta$☆50Oct 23, 2024Updated last year
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆39Oct 10, 2024Updated last year
- Official implementation for "ALI-Agent: Assessing LLMs'Alignment with Human Values via Agent-based Evaluation"☆21Jan 31, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆27Sep 9, 2025Updated 6 months ago
- Chemical reaction data cleaning☆31Apr 19, 2022Updated 3 years ago
- ☆21Dec 17, 2025Updated 3 months ago
- Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides …☆44May 13, 2025Updated 10 months ago
- Official code of "Invariant Collaborative Filtering to Popularity Distribution Shift" (2023 WWW)☆21Jul 27, 2023Updated 2 years ago
- [ICLR 2025 Oral 🏆] The implementation of paper "Language Representations Can be What Recommenders Need: Findings and Potentials"☆101May 16, 2025Updated 10 months ago
- Structured Chemistry Reasoning with Large Language Models☆41May 4, 2024Updated last year
- Ratioanle-aware Graph Contrastive Learning codebase☆44Jun 15, 2023Updated 2 years ago
- Official Implementation (Pytorch) of the "LLaMo: Large Language Model-based Molecular Graph Assistant", NeurIPS 2024☆36Feb 12, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- The official source code for "Vision Language Model is NOT All You Need: Augmentation Strategies for Molecule Language Model".☆14Jul 23, 2024Updated last year
- ☆15Nov 4, 2024Updated last year
- ☆23Dec 4, 2024Updated last year
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆23Apr 20, 2024Updated last year
- Text mining of chemical reactions☆113Nov 10, 2024Updated last year
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- ☆10Jul 8, 2021Updated 4 years ago
- ☆12Feb 28, 2024Updated 2 years ago
- EDBench: Large-Scale Electron Density Data for Molecular Modeling (NeurIPS 2025)☆18Dec 16, 2025Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- 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
- NeuRec is a comprehensive and flexible Python library for recommendation models that includes a large range of state-of-the-art neural re…☆23Mar 24, 2023Updated 3 years ago
- ☆22Aug 1, 2023Updated 2 years ago
- ☆36Jul 10, 2025Updated 8 months ago
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆27Jul 2, 2024Updated last year
- ☆24Nov 24, 2024Updated last year
- ☆32Sep 19, 2025Updated 6 months ago