kjappelbaum / gptchemLinks
☆257Updated last year
Alternatives and similar repositories for gptchem
Users that are interested in gptchem are comparing it to the libraries listed below
Sorting:
- ☆283Updated last year
- EPFL CH-457 "AI for chemistry"☆235Updated 9 months ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆135Updated 3 years ago
- Molecular dynamics simulations with an LLM agent☆225Updated 3 weeks ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆101Updated last year
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆199Updated 4 years ago
- overview of datasets for ML in chemistry☆378Updated 3 months ago
- ChemNLP project☆170Updated last week
- ☆94Updated last year
- An object-aware diffusion model for generating chemical reactions☆143Updated last year
- Python wrapper for the IBM RXN for Chemistry API☆234Updated last month
- ☆27Updated last year
- ☆281Updated 9 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆108Updated 8 months ago
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆70Updated 2 years ago
- A repository for the LLM-Prop implementation☆50Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆132Updated last year
- Transformer-based model for chemical reactions☆92Updated 2 weeks ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆197Updated 2 months 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 2 months ago
- ☆90Updated last year
- ChatGPT Chemistry Assistant☆87Updated 2 years ago
- Official data repository for the Open Reaction Database☆314Updated 6 months ago
- A benchmark dataset for polymer informatics.☆85Updated 4 years ago
- Large language models to generate stable crystals.☆117Updated last year
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆80Updated 3 years ago
- ☆274Updated 3 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆149Updated 4 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- How good are LLMs at chemistry?☆130Updated this week