OSU-NLP-Group / ChemMCPLinks
A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..
☆46Updated 5 months ago
Alternatives and similar repositories for ChemMCP
Users that are interested in ChemMCP are comparing it to the libraries listed below
Sorting:
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated last year
- Diffusion model for transition state prediction☆44Updated last year
- ☆84Updated last year
- ☆23Updated 11 months ago
- [COLING 2025]A curated paper list about LLMs for chemistry☆115Updated last week
- Unified machine learning model for predicting polymer properties through human language instructions☆23Updated 6 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆53Updated last week
- ☆42Updated 3 weeks ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated 2 years ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆49Updated 4 months ago
- React-OT is a generative transition state search model developed by DeepPrinciple, which uses Optimal Transport (OT) methods to generate …☆33Updated 2 months ago
- ☆30Updated last year
- ☆70Updated 2 years ago
- A Sequence Generation Model for Reaction Diagram Parsing☆91Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆64Updated 5 months ago
- Chemist AI Agent for Rational Inverse Design of Materials☆41Updated 8 months ago
- Predicting Organic Reactivity with LocalTransform☆48Updated 7 months ago
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆212Updated last week
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆87Updated last week
- Flow Matching for Electron Redistribution☆107Updated last month
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆15Updated 5 months ago
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 6 months ago
- byteff source code☆76Updated 8 months ago
- python code for Multi-Coordinate Driving (MCD) method☆14Updated last year
- Transformer-based model for chemical reactions☆88Updated 6 months ago
- Downloads USPTO patents and finds molecules related to keyword queries☆66Updated last year
- ☆13Updated 2 years ago
- Source code of MOLLEO☆51Updated 4 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆44Updated 7 months ago