[KDD 2026] Chem-R: Learning to Reason as a Chemist
☆31Oct 19, 2025Updated 11 months ago
Alternatives and similar repositories for Chem-R
Users that are interested in Chem-R are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆31Jan 23, 2025Updated last year
- ☆24Aug 9, 2026Updated last month
- PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]☆28Nov 18, 2024Updated last year
- Source code of MOLLEO☆57Sep 5, 2026Updated 2 weeks ago
- [ICCV 2025] Consistent Time-of-Flight Depth Denoising via Graph-Informed Geometric Attention☆16Sep 4, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆59Updated this week
- [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures☆16Mar 22, 2026Updated 5 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆94Aug 5, 2024Updated 2 years ago
- Deep Learning for Molecular Property Prediction in the Foundation Model Era☆15May 6, 2026Updated 4 months ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆157Mar 20, 2026Updated 5 months ago
- [ICLR 2026] CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics☆29Nov 1, 2025Updated 10 months ago
- ☆54Aug 7, 2026Updated last month
- ☆16Sep 30, 2024Updated last year
- Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality …☆116Jun 9, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- ⚙️ Opensource pipeline to identify suspicious BibTeX reference with crossref_search / openalex / semanticscholar☆44Jan 19, 2026Updated 8 months ago
- ReaSyn is a model for predicting a molecule's synthesis pathway, reaction steps from building blocks to final product(s), using an encode…☆113Jul 18, 2026Updated 2 months ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- ☆20May 25, 2026Updated 3 months ago
- ☆15Dec 4, 2023Updated 2 years ago
- [🏆AAAI'25] Official Repo for ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry Area.☆93Apr 14, 2026Updated 5 months ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Mar 30, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆87Mar 18, 2026Updated 6 months ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated last year
- A scientific reasoning model, dataset, and reward functions for chemistry.☆168Oct 26, 2025Updated 10 months ago
- Serializing molecule 3D structures☆14Nov 27, 2024Updated last year
- [ICML 2025] Hierarchical Graph Tokenization for Molecule-Language Alignment☆17Aug 18, 2025Updated last year
- ☆30Aug 16, 2026Updated last month
- The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Lear…☆23Aug 25, 2026Updated 3 weeks ago
- Disordered protein ensemble prediction☆16Aug 31, 2026Updated 2 weeks ago
- Code of GraphAdapter☆18Mar 21, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- ☆29Oct 7, 2024Updated last year
- Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions☆29Jul 2, 2024Updated 2 years ago
- The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)☆34Apr 21, 2024Updated 2 years ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆17Mar 17, 2025Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆97Jul 23, 2024Updated 2 years ago
- [COLM'24] We propose Protein Chain of Thought (ProCoT), which replicates the biological mechanism of signaling pathways as language promp…☆75Nov 23, 2025Updated 9 months ago