OpenBioML / chemnlpLinks
ChemNLP project
☆171Updated this week
Alternatives and similar repositories for chemnlp
Users that are interested in chemnlp are comparing it to the libraries listed below
Sorting:
- ☆94Updated last year
- ☆258Updated last year
- Molecular dynamics simulations with an LLM agent☆225Updated 3 weeks ago
- How good are LLMs at chemistry?☆131Updated last week
- ☆125Updated 2 years ago
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆186Updated last year
- ☆283Updated last year
- A deep learning model for small molecule drug discovery and cheminformatics based on SMILES☆178Updated 2 years ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆250Updated 7 months ago
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆123Updated last year
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆107Updated last month
- A scientific reasoning model, dataset, and reward functions for chemistry.☆152Updated 3 months ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆199Updated 4 years ago
- LLM for Drug Editing, ICLR 2024☆156Updated last year
- Explainer for black box models that predict molecule properties☆346Updated 8 months ago
- Transformer-based model for chemical reactions☆93Updated 3 weeks ago
- overview of datasets for ML in chemistry☆383Updated 3 months ago
- A single model for all your molecular design tasks☆168Updated 4 months ago
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆169Updated last year
- 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
- 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
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆75Updated 2 years ago
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆122Updated 6 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆309Updated 3 months ago
- ☆146Updated 4 years ago
- ☆283Updated 10 months ago
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆169Updated 3 months ago
- Associated Repository for "Translation between Molecules and Natural Language"☆192Updated 2 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆45Updated 2 years ago
- Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality …☆105Updated 7 months ago