ur-whitelab / chemcrow-runsLinks
☆94Updated 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:
- ☆257Updated last year
- ChemNLP project☆170Updated last week
- ☆283Updated last year
- Language-interfaced fine-tuning for chemistry☆46Updated 2 years ago
- A scientific reasoning model, dataset, and reward functions for chemistry.☆150Updated 2 months ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆119Updated 6 months ago
- LLM for Drug Editing, ICLR 2024☆156Updated last year
- 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
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆133Updated 3 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆68Updated 2 years ago
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆168Updated last year
- ☆31Updated 3 years ago
- How good are LLMs at chemistry?☆128Updated 2 months ago
- ☆37Updated last year
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Updated 2 years ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆30Updated 2 years ago
- Chemical representation learning paper in Digital Discovery☆63Updated last year
- ☆98Updated 6 months ago
- ☆89Updated last year
- Package for Retrosynthetic Planning☆177Updated last week
- A Sequence Generation Model for Reaction Diagram Parsing☆100Updated 2 years ago
- Text mining of chemical reactions☆112Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆78Updated 8 months ago
- Useful functions for working with small molecules☆56Updated 4 months ago
- Predicting molecular structure from Infrared (IR) Spectra☆27Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- ☆75Updated last year
- Transformer-based model for chemical reactions☆92Updated this week
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆75Updated 2 years ago
- ☆24Updated last year