OSU-NLP-Group / ChemMCPLinks
A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..
☆49Updated 8 months ago
Alternatives and similar repositories for ChemMCP
Users that are interested in ChemMCP are comparing it to the libraries listed below
Sorting:
- ☆24Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Updated last year
- Unified machine learning model for predicting polymer properties through human language instructions☆27Updated 9 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆52Updated 7 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆132Updated last year
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆41Updated 5 months ago
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆228Updated this week
- Transformer-based model for chemical reactions☆93Updated 3 weeks ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆70Updated 8 months ago
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆16Updated 7 months ago
- ☆32Updated last year
- ☆73Updated 2 years ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆137Updated 3 weeks ago
- Diffusion model for transition state prediction☆46Updated 2 years ago
- Serializing molecule 3D structures☆14Updated last year
- ☆44Updated 2 months ago
- An object-aware diffusion model for generating chemical reactions☆143Updated last year
- Large language models to generate stable crystals.☆117Updated last year
- byteff source code☆78Updated 11 months ago
- Predicting Organic Reactivity with LocalTransform☆51Updated 10 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆59Updated 3 weeks ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆43Updated last year
- Source code of MOLLEO☆53Updated 7 months ago
- Flow Matching for Electron Redistribution☆123Updated 3 weeks ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 9 months ago
- ☆91Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆71Updated 2 years ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆101Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆47Updated 2 weeks ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆89Updated 3 months ago