ur-whitelab / chemcrow-runsLinks
☆91Updated last year
Alternatives and similar repositories for chemcrow-runs
Users that are interested in chemcrow-runs are comparing it to the libraries listed below
Sorting:
- ☆251Updated last year
- ChemNLP project☆164Updated this week
- ☆36Updated 9 months ago
- ☆266Updated 8 months ago
- A scientific reasoning model, dataset, and reward functions for chemistry.☆130Updated 2 months ago
- Language-interfaced fine-tuning for chemistry☆44Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆68Updated 2 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆108Updated 2 months ago
- ☆39Updated last year
- Downloads USPTO patents and finds molecules related to keyword queries☆66Updated last year
- How good are LLMs at chemistry?☆116Updated last week
- Package for Retrosynthetic Planning☆161Updated 2 weeks ago
- ☆80Updated last year
- ☆30Updated 2 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆76Updated 3 years ago
- Molecular dynamics simulations with an LLM agent☆208Updated 5 months ago
- Useful functions for working with small molecules☆53Updated last week
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆124Updated 3 years ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆91Updated 4 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆42Updated 2 years ago
- Source code of MOLLEO☆47Updated 2 months ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆75Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆85Updated 2 years ago
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆159Updated last year
- LLM Agent that leverages cheminformatics tools to provide informed responses.☆45Updated 2 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Updated 2 years ago
- Text mining of chemical reactions☆107Updated 10 months ago
- Transformer-based model for chemical reactions☆86Updated 4 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆45Updated 2 months ago
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆118Updated 8 months ago